10831530
  -OEChem-05112406172D

 51 54  0     0  0  0  0  0  0999 V2000
    5.1871   -3.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8091    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
    6.8335   -3.1524    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
    8.7905   -3.5648    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
    5.5443   -1.9956    0.0000 C   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
    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
    3.7320   -2.1909    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
    7.1279   -1.1909    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
    2.8660   -0.6909    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
    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
    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
    6.6408   -2.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303   -4.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236   -4.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -1.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -2.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8914   -4.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490   -4.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0936   -2.5269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5004   -1.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730   -4.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374   -3.2728    0.0000 H   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
    3.7320   -2.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -1.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.5709    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
    2.3291   -0.3809    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
    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
    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 10  2  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  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 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 39  1  0  0  0  0
 16 19  2  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10831530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
467

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHgAAAAAADQzhngY+xrMMHACoA7R3RASCiCA3YiAI2CG/bNgOJvLEtbuHOSjkwBHY6Qe42eOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25NO2/c1-17-15-20-21(26-16-18-9-4-2-5-10-18)13-8-14-24(20)22(17)23(25)19-11-6-3-7-12-19/h2,4-5,8-10,13-15,19H,3,6-7,11-12,16H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
DPPHIBPRIVFOIU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
347.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.188529040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  12  8
12  14  8
13  14  8
13  16  8
15  18  8
16  19  8
18  19  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  11  8
3  13  8
3  15  8

$$$$