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

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-octan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-octan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-3-octanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyloctan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-octan-3-ol hydrochloride Formula: C28H42ClNO2 MolecularWeight: 460.09158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO2.ClH/c1-3-5-11-20-28(30,25-16-18-26(19-17-25)31-4-2)27(24-14-9-8-10-15-24)23-29-21-12-6-7-13-22-29;/h8-10,14-19,27,30H,3-7,11-13,20-23H2,1-2H3;1H