1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-nonan-3-ol hydrochloride

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-nonan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-nonan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-3-nonanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-nonan-3-ol hydrochloride Formula: C29H44ClNO2 MolecularWeight: 474.11816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)OCC)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)OCC)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C29H43NO2.ClH/c1-3-5-6-12-21-29(31,26-17-19-27(20-18-26)32-4-2)28(25-15-10-9-11-16-25)24-30-22-13-7-8-14-23-30;/h9-11,15-20,28,31H,3-8,12-14,21-24H2,1-2H3;1H