67997862
  -OEChem-05092410202D

 34 35  0     0  0  0  0  0  0999 V2000
    2.8660   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 34  1  0  0  0  0
  2 16  2  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  3  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67997862

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
319

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyBmAAyxoLAAgCIAiVSUACCAAAhIgAIiAAGbMgIJiLCkZOEcAhk1BHI2YewwIAOgEAAAAAQAAAAgAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-hydroxyphenyl)-3-(o-tolyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-hydroxyphenyl)-3-(2-methylphenyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-hydroxyphenyl)-3-(o-tolyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-11,18H,1H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
OBOOQXMQXCITLE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
253.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
253.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
14  17  8
15  18  8
17  19  8
18  19  8
4  5  8
4  6  8
5  7  8
6  11  8
7  12  8
8  13  1
9  14  8
9  15  8

$$$$