[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxidanylideneazepane-1-carboxylate

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxidanylideneazepane-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-oxoazepane-1-carboxylate CAS Name: 2-oxo-1-azepanecarboxylic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxoazepane-1-carboxylate Traditional Name: 2-ketoazepane-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2CCCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)([C@@H]1CCCC[C@H]1OC(=O)N2CCCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31NO3/c1-22(2,17-11-5-3-6-12-17)18-13-8-9-14-19(18)26-21(25)23-16-10-4-7-15-20(23)24/h3,5-6,11-12,18-19H,4,7-10,13-16H2,1-2H3/t18-,19-/m1/s1