(phenylmethyl) 1-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 1-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate hydrochloride Openeye Name: benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate hydrochloride CAS Name: 1-[2-(1-azepanyl)ethyl]-2-oxo-1-cyclohexanecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxocyclohexane-1-carboxylate hydrochloride Traditional Name: 1-[2-(azepan-1-yl)ethyl]-2-keto-cyclohexanecarboxylic acid benzyl ester hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2(CCCCC2=O)C(=O)OCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCCN(CC1)CCC2(CCCCC2=O)C(=O)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H31NO3.ClH/c24-20-12-6-7-13-22(20,14-17-23-15-8-1-2-9-16-23)21(25)26-18-19-10-4-3-5-11-19;/h3-5,10-11H,1-2,6-9,12-18H2;1H