56177152
  -OEChem-05032419352D

 51 53  0     0  0  0  0  0  0999 V2000
   13.1090    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7070    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7070    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7754   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1774   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5143   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7060   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5119   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5119   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4380    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2440    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2440    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  2  0  0  0  0
  3 18  2  0  0  0  0
  4 26  1  0  0  0  0
  4 29  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 34  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  2  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  2  0  0  0  0
 20 43  1  0  0  0  0
 21 25  2  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56177152

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
545

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADAThmAYwBoLABECIAqlSkACCCAAkIAAIiIEODMgMJjqE9RuGOSjm1hGIqYeYwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-N-[(2-phenoxyphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-N-[(2-phenoxyphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[[(<I>E</I>)-3-(furan-2-yl)prop-2-enoyl]amino]-<I>N</I>-[(2-phenoxyphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_NAME>
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(2-phenoxyphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(2-phenoxyphenyl)methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[[(E)-3-(2-furyl)acryloyl]amino]-N-(2-phenoxybenzyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22N2O4/c26-22(13-12-19-10-6-16-28-19)24-15-14-23(27)25-17-18-7-4-5-11-21(18)29-20-8-2-1-3-9-20/h1-13,16H,14-15,17H2,(H,24,26)(H,25,27)/b13-12+

> <PUBCHEM_IUPAC_INCHIKEY>
ZSUYQXRGEILYAT-OUKQBFOZSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
390.15795719

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
390.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)OC2=CC=CC=C2CNC(=O)CCNC(=O)C=CC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)OC2=CC=CC=C2CNC(=O)CCNC(=O)/C=C/C3=CC=CO3

> <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
13  15  8
14  16  8
15  16  8
17  19  8
17  20  8
19  22  8
20  23  8
22  24  8
23  24  8
26  27  8
27  28  8
28  29  8
4  26  8
4  29  8
8  10  8
8  13  8

$$$$