132317822
  -OEChem-06192423302D

 38 39  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    1.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397    0.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    2.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571    2.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571    1.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147    3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6244    3.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420    0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    3.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220    3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -2.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 14  2  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317822

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
355

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMQAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAABAAAAHwAQAAAADIyhmAoyBoLABACIAiFSEACCCAAgIAAIiAAGDMgMJiKEsRuGMChm1BGIqIeQ0PMOoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(3-fluoro-4-methoxy-phenyl)tetrahydropyran-4-yl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(3-fluoro-4-methoxyphenyl)-4-oxanyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(3-fluoranyl-4-methoxy-phenyl)oxan-4-yl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(3-fluoro-4-methoxy-phenyl)tetrahydropyran-4-yl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18FNO3/c1-3-14(18)17-15(6-8-20-9-7-15)11-4-5-13(19-2)12(16)10-11/h3-5,10H,1,6-9H2,2H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
VGYBUGLVLRXFNE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
279.12707160

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18FNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
279.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2(CCOCC2)NC(=O)C=C)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2(CCOCC2)NC(=O)C=C)F

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.12707160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
12  15  8
13  16  8
15  17  8
16  17  8
9  12  8
9  13  8

$$$$
