1-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-3-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-3-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-benzyl-2-oxo-cyclohexanecarboxylate CAS Name: 1-[2-(1-azepanyl)ethyl]-2-oxo-3-(phenylmethyl)-1-cyclohexanecarboxylate IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-benzyl-2-oxocyclohexane-1-carboxylate Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-benzyl-2-keto-cyclohexanecarboxylate Formula: C22H30NO3- MolecularWeight: 356.4785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2(CCCC(C2=O)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CCC2(CCCC(C2=O)CC3=CC=CC=C3)C(=O)[O-]

InChI

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