10813143
  -OEChem-05042415062D

 59 64  0     0  0  0  0  0  0999 V2000
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    6.8335   -2.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4763   -3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299   -4.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -3.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514   -4.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870   -4.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -3.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -1.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045   -0.9511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    0.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    0.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160   -2.0475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225   -5.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   -3.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -4.7931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729   -5.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515   -2.6662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9581   -5.7458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    4.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
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 16 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
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 19 24  1  0  0  0  0
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 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 34  2  0  0  0  0
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 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10813143

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
677

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAGAAAAWAAAAA8YMEAAAAAAFgB9AAAHgAAAAAADQzhngY8xrMMHACoA7R3RASCiCA3YiAI2CG/bNgOJvLEtbuHOSjkwBHY6Ye42fOegAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8-benzyloxy-2-cyclopropyl-indolizin-3-yl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2-cyclopropyl-8-phenylmethoxy-3-indolizinyl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-cyclopropyl-8-phenylmethoxyindolizin-3-yl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_NAME>
(2-cyclopropyl-8-phenylmethoxyindolizin-3-yl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-cyclopropyl-8-phenylmethoxy-indolizin-3-yl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8-benzoxy-2-cyclopropyl-indolizin-3-yl)-(2-phenylphenyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H25NO2/c33-31(26-15-8-7-14-25(26)23-12-5-2-6-13-23)30-27(24-17-18-24)20-28-29(16-9-19-32(28)30)34-21-22-10-3-1-4-11-22/h1-16,19-20,24H,17-18,21H2

> <PUBCHEM_IUPAC_INCHIKEY>
CFTQPSCPJUSNGN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
8.2

> <PUBCHEM_EXACT_MASS>
443.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C31H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
443.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C2=C(N3C=CC=C(C3=C2)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C6=CC=CC=C6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C2=C(N3C=CC=C(C3=C2)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C6=CC=CC=C6

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
443.188529040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  12  8
12  15  8
13  16  8
14  17  8
14  18  8
15  16  8
17  21  8
18  22  8
20  25  8
20  26  8
21  23  8
22  23  8
24  27  8
24  28  8
25  29  8
26  30  8
27  32  8
28  33  8
29  31  8
3  10  8
3  13  8
3  8  8
30  31  8
32  34  8
33  34  8
7  8  8
7  9  8
9  10  8

$$$$