68350201
  -OEChem-05122400572D

 38 39  0     0  0  0  0  0  0999 V2000
    6.8671    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    2.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 37  1  0  0  0  0
  2 13  1  0  0  0  0
  2 38  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68350201

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyhmAIywILAAgCIAiVSUACCAAAhIgAIiAEAbMgINiLAkZGEcAhm1AHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methyl-3-phenyl-prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methyl-3-phenyl-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-3-hydroxy-<I>N</I>-[2-(hydroxymethyl)phenyl]-2-methyl-3-phenylprop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methyl-3-phenylprop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-[2-(hydroxymethyl)phenyl]-2-methyl-3-oxidanyl-3-phenyl-prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-3-hydroxy-2-methyl-N-(2-methylolphenyl)-3-phenyl-acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17NO3/c1-12(16(20)13-7-3-2-4-8-13)17(21)18-15-10-6-5-9-14(15)11-19/h2-10,19-20H,11H2,1H3,(H,18,21)/b16-12+

> <PUBCHEM_IUPAC_INCHIKEY>
PEOFSIOWRGMLLR-FOWTUZBSSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
283.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
283.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C(C1=CC=CC=C1)O)C(=O)NC2=CC=CC=C2CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C(/C1=CC=CC=C1)\O)/C(=O)NC2=CC=CC=C2CO

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
10  14  8
11  17  8
11  18  8
12  15  8
14  15  8
17  19  8
18  20  8
19  21  8
20  21  8
5  10  8
5  6  8
6  12  8

$$$$