5765244
  -OEChem-04262413002D

 51 53  0     0  0  0  0  0  0999 V2000
    2.8660   -4.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    4.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    4.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965    5.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    5.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  2  0  0  0  0
  3 19  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  2  0  0  0  0
  5  8  1  0  0  0  0
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  5 34  1  0  0  0  0
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  6 18  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 10 35  1  0  0  0  0
 11 15  2  0  0  0  0
 11 36  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
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 19 21  2  0  0  0  0
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 21 26  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5765244

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAzhmAYyBoLABECIAq1S0ACCCAAkIgAIiIGODMgMZjKEtTuWOSjk1hGIqceYyICOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(Z)-2-(2-furyl)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(Z)-1-(2-furanyl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>Z</I>)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(Z)-2-(2-furyl)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22N2O4/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)21(16-20-8-5-15-29-20)25-22(26)18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)/b21-16-

> <PUBCHEM_IUPAC_INCHIKEY>
KVTPGALDBNFIJS-PGMHBOJBSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
390.15795719

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
390.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
390.15795719

> <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>
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  15  8
14  16  8
15  16  8
19  21  8
20  22  8
20  23  8
21  26  8
22  24  8
23  25  8
24  27  8
25  27  8
26  28  8
3  19  8
3  28  8
9  10  8
9  11  8

$$$$