2422023
  -OEChem-05102421062D

 49 52  0     0  0  0  0  0  0999 V2000
    6.0071    0.3861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3015    4.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -2.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    1.8476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179    3.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0286    0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    3.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396    1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822    0.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3015    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -1.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105    3.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    0.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    3.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915    3.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    1.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    3.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915    0.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780   -1.2303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    0.6436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1115    0.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    2.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1961   -2.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -0.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -3.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -3.0433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    3.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    4.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    4.6997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -3.6656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859   -4.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615   -4.4937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 18  1  0  0  0  0
  2 27  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 30  1  0  0  0  0
 12 16  2  0  0  0  0
 12 31  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 26 28  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2422023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAADAzhngY+xrMMHACoA7R3RACCiCA3IiAI2CG+bNgMJvLEtbuGOSjkwBHI6YeY3fPeoAABAAAAAABAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-ethoxyphenyl)-[2-(3-methoxyphenyl)-3-indolizinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(3-methoxyphenyl)indolizin-3-yl]-p-phenetyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21NO3/c1-3-28-20-12-10-17(11-13-20)24(26)23-22(16-19-8-4-5-14-25(19)23)18-7-6-9-21(15-18)27-2/h4-16H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OFHOREHGXGEDTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
371.15214353

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
371.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)OC

> <PUBCHEM_CACTVS_TPSA>
39.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.15214353

> <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>
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
12  16  8
13  19  8
13  20  8
14  18  8
15  16  8
17  21  8
18  22  8
19  23  8
20  24  8
21  22  8
23  25  8
24  25  8
4  11  8
4  5  8
4  7  8
5  6  8
6  8  8
7  12  8
7  8  8
9  14  8
9  17  8

$$$$