70003716
  -OEChem-05122408202D

 54 57  0     0  0  0  0  0  0999 V2000
    5.1871   -2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6565    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
    7.1441   -3.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763   -3.9998    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
    6.7870   -4.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   -4.4122    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
    6.8335   -2.3050    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
    5.5443   -1.1482    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
    4.5981    0.1565    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
    3.7320   -1.3435    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
    7.1279   -0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1565    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
    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
    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
    6.5374   -3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937   -3.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   -4.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364   -3.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432   -2.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731   -5.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664   -5.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158   -4.9001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -4.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -5.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918   -5.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473   -2.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -1.6853    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
    7.1279   -0.9635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -0.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2765    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
    2.3291    0.4665    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
    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
    4.2690    4.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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 11  2  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  2  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70003716

> <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>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHgAAAAAADQzhngY+xrMMHACoA7R3RASCiCA3YiAI2CG/bNgOJvLEtbuHOSjkwBHY6Qe42eOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(8-benzyloxy-2-methyl-indolizin-3-yl)-2-cyclohexyl-ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyclohexyl-1-(2-methyl-8-phenylmethoxy-3-indolizinyl)ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-cyclohexyl-1-(2-methyl-8-phenylmethoxyindolizin-3-yl)ethanone

> <PUBCHEM_IUPAC_NAME>
2-cyclohexyl-1-(2-methyl-8-phenylmethoxyindolizin-3-yl)ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-cyclohexyl-1-(2-methyl-8-phenylmethoxy-indolizin-3-yl)ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(8-benzoxy-2-methyl-indolizin-3-yl)-2-cyclohexyl-ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H27NO2/c1-18-15-21-23(27-17-20-11-6-3-7-12-20)13-8-14-25(21)24(18)22(26)16-19-9-4-2-5-10-19/h3,6-8,11-15,19H,2,4-5,9-10,16-17H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KYHMUUOUTYJSAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7

> <PUBCHEM_EXACT_MASS>
361.204179104

> <PUBCHEM_MOLECULAR_FORMULA>
C24H27NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
361.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)CC4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)CC4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.204179104

> <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>
12  13  8
13  15  8
14  15  8
14  17  8
16  19  8
17  20  8
19  20  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
3  12  8
3  14  8
3  16  8

$$$$