35596283
  -OEChem-04262421402D

 54 56  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    1.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0326    2.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1665    3.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9461    3.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    2.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017    4.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1983    2.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    3.6076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6939    3.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  2  0  0  0  0
  4 22  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 40  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 23 26  1  0  0  0  0
 23 45  1  0  0  0  0
 24 27  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
35596283

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
571

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAABwAAAHgAQAAAADCzBmAYyBoLABECIAqVSUACCCAAkIgAIiIGODMgMZjaEtTuWOWjm9hGIqceYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(E)-1-(cyclohexylcarbamoyl)-2-(5-methyl-2-furyl)vinyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(E)-3-(cyclohexylamino)-1-(5-methyl-2-furanyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>E</I>)-3-(cyclohexylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[(E)-3-(cyclohexylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(E)-3-(cyclohexylamino)-1-(5-methylfuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(E)-1-(cyclohexylcarbamoyl)-2-(5-methyl-2-furyl)vinyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26N2O4/c1-15-12-13-17(28-15)14-19(22(26)23-16-8-4-3-5-9-16)24-21(25)18-10-6-7-11-20(18)27-2/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,23,26)(H,24,25)/b19-14+

> <PUBCHEM_IUPAC_INCHIKEY>
MVHHJGABCFSRIM-XMHGGMMESA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
382.18925731

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
382.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(O1)C=C(C(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(O1)/C=C(\C(=O)NC2CCCCC2)/NC(=O)C3=CC=CC=C3OC

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.18925731

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
16  19  8
18  22  8
18  23  8
19  21  8
2  16  8
2  20  8
20  21  8
22  24  8
23  26  8
24  27  8
26  27  8

$$$$