58631841
  -OEChem-05102423002D

 48 50  0     0  0  0  0  0  0999 V2000
    6.5128   -0.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    3.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372    4.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    3.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    2.1262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    2.7262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2038    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    2.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -2.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8948   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    2.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5549    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698   -2.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378   -2.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5494    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698   -3.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378   -3.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -4.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    4.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    4.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3051   -0.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    0.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0259    1.6246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7258    4.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9977    3.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193    2.1598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1067   -2.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008   -2.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3785    2.8347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067    3.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1067   -4.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008   -4.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -4.8597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    1.7689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    4.5594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    1.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    4.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7538    4.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 14  2  0  0  0  0
  3 20  1  0  0  0  0
  3 48  1  0  0  0  0
  4 18  2  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 32  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58631841

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
551

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQCAAADAzhmAYwBILABkCIAqVSUACCCAAkIgAIiIGODMgOdjKEtTuWOSjk1hGYqceYyPCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(Z)-1-(2-hydroxyethylcarbamoyl)-2-(5-phenyl-2-furyl)vinyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenyl-2-furanyl)prop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>Z</I>)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(Z)-3-(2-hydroxyethylamino)-3-oxidanylidene-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(Z)-1-(2-hydroxyethylcarbamoyl)-2-(5-phenyl-2-furyl)vinyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20N2O4/c25-14-13-23-22(27)19(24-21(26)17-9-5-2-6-10-17)15-18-11-12-20(28-18)16-7-3-1-4-8-16/h1-12,15,25H,13-14H2,(H,23,27)(H,24,26)/b19-15-

> <PUBCHEM_IUPAC_INCHIKEY>
QOXLBFCCSFRYKR-CYVLTUHYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
376.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
376.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC=C(O2)C=C(C(=O)NCCO)NC(=O)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)NCCO)\NC(=O)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
91.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
376.14230712

> <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>
1  7  8
1  8  8
10  16  8
10  17  8
12  13  8
16  21  8
17  22  8
19  24  8
19  25  8
21  23  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
7  12  8
8  13  8

$$$$