57178652
  -OEChem-05032418302D

 51 52  0     0  0  0  0  0  0999 V2000
    5.4641    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8450    0.0000 N   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
    2.8660   -5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.6550    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
    2.8660   -4.6550    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
    3.7320   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   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
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -6.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -5.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 26  1  0  0  0  0
  2 51  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  3 43  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  3  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  2  3  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  3  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57178652

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
543

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyBmAAyxoLAAgCIAiVSUACCAAAhIgAIiAAGbMgIJiLCkZOEcAhk1BHI2QewwMAOAEACAAAAAAAAgAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(3,5-dimethylphenyl)-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide

> <PUBCHEM_IUPAC_CAS_NAME>
7-(3,5-dimethylphenyl)-N-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(3,5-dimethylphenyl)-<I>N</I>-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide

> <PUBCHEM_IUPAC_NAME>
7-(3,5-dimethylphenyl)-N-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(3,5-dimethylphenyl)-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(3,5-dimethylphenyl)-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25NO2/c1-16(15-23(26)24-21-8-10-22(25)11-9-21)6-5-7-19(4)20-13-17(2)12-18(3)14-20/h5-15,25H,1-4H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
FKGBZGOWXFPULG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
347.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC(=C1)C(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC(=C1)C(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C)C

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.188529040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
3

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  17  1
16  19  1
18  22  8
18  23  8
22  24  8
23  25  8
24  26  8
25  26  8
4  7  8
4  8  8
5  10  8
5  8  8
6  10  8
6  7  8
9  14  1

$$$$