1-(azepan-1-yl)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-hexan-3-ol hydrochloride

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-hexan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-hexan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-3-hexanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-5-methyl-2-phenylhexan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-5-methyl-2-phenyl-3-p-phenetyl-hexan-3-ol hydrochloride Formula: C27H40ClNO2 MolecularWeight: 446.065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2.ClH/c1-4-30-25-16-14-24(15-17-25)27(29,20-22(2)3)26(23-12-8-7-9-13-23)21-28-18-10-5-6-11-19-28;/h7-9,12-17,22,26,29H,4-6,10-11,18-21H2,1-3H3;1H