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

Systemtic Name: (phenylmethyl) 1-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[2-(1-azepanyl)ethyl]-2-oxo-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 1-[2-(azepan-1-yl)ethyl]-2-keto-cyclohexanecarboxylic acid benzyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/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