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

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-phenylazepane-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2-phenylazepane-1-carboxylate CAS Name: (2R)-2-phenyl-1-azepanecarboxylic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-phenylazepane-1-carboxylate Traditional Name: (2R)-2-phenylazepane-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2CCCCCC2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)([C@@H]1CCCC[C@H]1OC(=O)N2CCCCC[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H37NO2/c1-28(2,23-16-8-4-9-17-23)24-18-11-12-20-26(24)31-27(30)29-21-13-5-10-19-25(29)22-14-6-3-7-15-22/h3-4,6-9,14-17,24-26H,5,10-13,18-21H2,1-2H3/t24-,25-,26-/m1/s1