38207
  -OEChem-04262417342D

 45 48  0     1  0  0  0  0  0999 V2000
    6.8275   -0.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3099   -2.3474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6721    1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    3.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122    0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986    1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8616   -0.6743    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5373   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834   -0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0729    1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6028   -1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0511   -3.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    2.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    3.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    2.5138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    3.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0383    3.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926    0.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989   -0.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3700   -0.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022   -0.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264    2.3416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    2.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0409   -1.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2472   -2.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822   -0.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596   -0.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4134    1.1728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    0.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9088   -2.1869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522   -3.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8906   -3.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499   -3.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 41  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  2 42  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
38207

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBQAAAHgAQCAAADxThmAYyAILAAgCAAiBCAAACAAAgAAAIiIAIAIgKMCKAkRCEYAAkkAAYiAeQwPAPgAAAAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-2-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(methylamino)-3-(1-tetracyclo[6.6.2.0<SUP>2,7</SUP>.0<SUP>9,14</SUP>]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol

> <PUBCHEM_IUPAC_NAME>
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FDXQKWSTUZCCTM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
293.177964357

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23NO

> <PUBCHEM_MOLECULAR_WEIGHT>
293.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.177964357

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  1  3
10  15  8
11  16  8
13  18  8
14  19  8
15  20  8
16  21  8
18  20  8
19  21  8
7  10  8
7  13  8
8  11  8
8  14  8

$$$$