45272116
  -OEChem-05102404162D

 56 59  0     0  0  0  0  0  0999 V2000
    9.4706   -1.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    3.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636   -1.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8307   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6569   -2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385   -1.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6354   -2.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -1.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463   -3.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3033   -2.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141   -3.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926   -3.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    2.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385    3.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -0.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -1.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -2.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1352   -2.3598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7577   -1.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284   -1.7043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2312    0.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966    0.9352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178    0.2006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396   -3.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100   -2.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -3.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5505   -3.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215   -4.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4067   -4.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -2.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -2.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331   -3.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    0.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    2.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573   -0.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    3.0995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    2.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0485    4.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    4.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4285    3.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 23  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 15  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 23  1  0  0  0  0
 20 26  2  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45272116

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
549

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAAAAAADAzBngYyxvMMFACoA6RyRACCiCAlIiAI2CE+bNgMJvrEtZuEMahkwBHI6ceczPDOoAADAAAaAABAAAYAADQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-methoxy-1-naphthyl)-(2-methyl-1-pentyl-indol-3-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-methoxy-1-naphthalenyl)-(2-methyl-1-pentyl-3-indolyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

> <PUBCHEM_IUPAC_NAME>
(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentyl-indol-3-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-amyl-2-methyl-indol-3-yl)-(4-methoxy-1-naphthyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
CNTCHEBQQFICNR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
385.204179104

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
385.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC)C

> <PUBCHEM_CACTVS_TPSA>
31.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.204179104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
13  17  8
14  18  8
16  19  8
16  22  8
17  18  8
19  20  8
19  25  8
20  23  8
20  26  8
22  24  8
23  24  8
25  27  8
26  28  8
27  28  8
3  5  8
3  6  8
5  7  8
6  13  8
6  8  8
7  8  8
8  14  8

$$$$