1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenyl-heptan-3-ol hydrochloride

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenyl-heptan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenyl-heptan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-6-methyl-2-phenyl-3-heptanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-6-methyl-2-phenyl-3-p-phenetyl-heptan-3-ol hydrochloride Formula: C28H42ClNO2 MolecularWeight: 460.09158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC(C)C)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CCC(C)C)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C28H41NO2.ClH/c1-4-31-26-16-14-25(15-17-26)28(30,19-18-23(2)3)27(24-12-8-7-9-13-24)22-29-20-10-5-6-11-21-29;/h7-9,12-17,23,27,30H,4-6,10-11,18-22H2,1-3H3;1H