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

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-butylazepane-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2-butylazepane-1-carboxylate CAS Name: (2R)-2-butyl-1-azepanecarboxylic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-butylazepane-1-carboxylate Traditional Name: (2R)-2-butylazepane-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C26H41NO2 MolecularWeight: 399.60924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCCN1C(=O)OC2CCCCC2C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H]1CCCCCN1C(=O)O[C@@H]2CCCC[C@H]2C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H41NO2/c1-4-5-16-22-17-10-7-13-20-27(22)25(28)29-24-19-12-11-18-23(24)26(2,3)21-14-8-6-9-15-21/h6,8-9,14-15,22-24H,4-5,7,10-13,16-20H2,1-3H3/t22-,23-,24-/m1/s1