10832049
  -OEChem-04182406362D

 48 51  0     0  0  0  0  0  0999 V2000
    3.7320    0.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -3.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -3.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -2.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -4.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   -2.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -3.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    0.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0202   -1.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -0.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9379    0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -0.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.7265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -4.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152   -4.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8939   -2.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972   -3.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.9291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10832049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAADAzhngY+xrMMHACoA7R3RASCiCA3YiAI2CG/bNgOJvLEtbuHOSjkwBHY6Ye42eOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8-benzyloxy-2-ethyl-indolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2-ethyl-8-phenylmethoxy-3-indolizinyl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-ethyl-8-phenylmethoxyindolizin-3-yl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
(2-ethyl-8-phenylmethoxyindolizin-3-yl)-phenylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-ethyl-8-phenylmethoxy-indolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8-benzoxy-2-ethyl-indolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21NO2/c1-2-19-16-21-22(27-17-18-10-5-3-6-11-18)14-9-15-25(21)23(19)24(26)20-12-7-4-8-13-20/h3-16H,2,17H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KMBCACZPOVKEHE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
355.157228913

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
355.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.157228913

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  13  8
12  13  8
15  18  8
15  19  8
17  22  8
17  23  8
18  20  8
19  21  8
20  24  8
21  24  8
22  25  8
23  26  8
25  27  8
26  27  8
3  10  8
3  5  8
3  6  8
4  5  8
4  7  8
6  7  8
6  9  8
9  12  8

$$$$