20592745
  -OEChem-05062419182D

 55 58  0     0  0  0  0  0  0999 V2000
    2.8660    2.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    3.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    2.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    3.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9889    2.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    2.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -3.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -3.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531   -4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -4.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.3056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    0.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    0.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -2.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -0.0364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -1.5762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.5332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -1.9352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276   -3.8091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    4.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -3.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457   -5.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    3.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    4.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605   -4.6808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2 16  2  0  0  0  0
  3 24  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5 24  1  0  0  0  0
  5 53  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  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 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
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 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 25 28  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 30  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
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 31 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
20592745

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
632

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzhngY+xrNMHACoA7V3VASCiCA1YiAI2CG/bNgOJvrEtZuHOajkwBHY6Ue+3ePegAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxo-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]-1-indolizinyl]-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME>
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxidanylidene-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[8-ethoxy-2-methyl-3-(2-phenylbenzyl)indolizin-1-yl]-2-keto-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N2O3/c1-3-31-22-14-9-15-28-21(17(2)23(24(22)28)25(29)26(27)30)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H2,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
VBRMDWLUKKAIIE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
412.17869263

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
412.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CN2C1=C(C(=C2CC3=CC=CC=C3C4=CC=CC=C4)C)C(=O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CN2C1=C(C(=C2CC3=CC=CC=C3C4=CC=CC=C4)C)C(=O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
73.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.17869263

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
11  15  8
11  19  8
12  17  8
13  18  8
15  21  8
17  18  8
19  22  8
20  26  8
20  27  8
21  23  8
22  23  8
26  29  8
27  30  8
29  31  8
30  31  8
4  13  8
4  6  8
4  8  8
6  7  8
7  10  8
8  10  8
8  12  8

$$$$