9100900
  -OEChem-06192423182D

 52 55  0     1  0  0  0  0  0999 V2000
    7.1496   -3.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3356    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -3.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3009   -0.2102    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1611   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1496   -1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435   -2.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9095   -1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435   -3.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7755   -2.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   -2.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9095   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7755   -3.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8935   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   -3.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639    2.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6855   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7915   -0.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6936   -0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7204    1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    2.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3472    3.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704   -0.8349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3799   -0.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9218    0.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5313    1.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078   -1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1254   -0.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887   -1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7330   -1.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9095   -4.3748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -3.5648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3530   -0.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2189   -2.0642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734    0.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891    0.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2317   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    3.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799    1.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671    3.7823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    4.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7272    3.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    2.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    2.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    1.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  1  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  2  0  0  0  0
 13 20  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  1  0  0  0  0
 18 40  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 21 41  1  0  0  0  0
 22 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9100900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAAAAAADATBmAYyDsMABACIAiDSCACCCAAgIAAIiAAODMgMJyKEsRuGOijnwBWIqQew8P4OoAADCAAYAABAAAYQADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[(2,4-dimethoxyphenyl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-3-benzo[f][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]benzo[f]chromen-3-one

> <PUBCHEM_IUPAC_NAME>
1-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]benzo[f]chromen-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[(2,4-dimethoxyphenyl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[(2,4-dimethoxybenzyl)-methyl-amino]methyl]benzo[f]chromen-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23NO4/c1-25(14-17-8-10-19(27-2)13-22(17)28-3)15-18-12-23(26)29-21-11-9-16-6-4-5-7-20(16)24(18)21/h4-13H,14-15H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
YTADYUKBHALWAR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
389.16270821

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
389.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC1=C(C=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC1=C(C=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

> <PUBCHEM_CACTVS_TPSA>
48

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.16270821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  19  8
10  12  8
10  18  8
11  16  8
12  17  8
12  21  8
13  20  8
13  22  8
14  19  8
16  17  8
18  23  8
20  25  8
21  24  8
22  26  8
23  24  8
25  27  8
26  27  8
7  14  8
7  8  8
8  10  8
8  11  8

$$$$
