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

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(benzotriazol-1-yl)piperidine-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(benzotriazol-1-yl)piperidine-1-carboxylate CAS Name: 2-(1-benzotriazolyl)-1-piperidinecarboxylic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(benzotriazol-1-yl)piperidine-1-carboxylate Traditional Name: 2-(benzotriazol-1-yl)piperidine-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2CCCCC2N3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

CC(C)([C@@H]1CCCC[C@H]1OC(=O)N2CCCCC2N3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-27(2,20-12-4-3-5-13-20)21-14-6-9-17-24(21)33-26(32)30-19-11-10-18-25(30)31-23-16-8-7-15-22(23)28-29-31/h3-5,7-8,12-13,15-16,21,24-25H,6,9-11,14,17-19H2,1-2H3/t21-,24-,25?/m1/s1