[2-(azepan-1-yl)-1-phenyl-ethyl] 2-methoxybenzoate hydrochloride

Systemtic Name: [2-(azepan-1-yl)-1-phenyl-ethyl] 2-methoxybenzoate hydrochloride Openeye Name: [2-(azepan-1-yl)-1-phenyl-ethyl] 2-methoxybenzoate hydrochloride CAS Name: 2-methoxybenzoic acid [2-(1-azepanyl)-1-phenylethyl] ester hydrochloride IUPAC Name: [2-(azepan-1-yl)-1-phenylethyl] 2-methoxybenzoate hydrochloride Traditional Name: 2-methoxybenzoic acid [2-(azepan-1-yl)-1-phenyl-ethyl] ester hydrochloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC(CN2CCCCCC2)C3=CC=CC=C3.Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC(CN2CCCCCC2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H27NO3.ClH/c1-25-20-14-8-7-13-19(20)22(24)26-21(18-11-5-4-6-12-18)17-23-15-9-2-3-10-16-23;/h4-8,11-14,21H,2-3,9-10,15-17H2,1H3;1H