[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2,6-dihydropyridine-1-carboxylate

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2,6-dihydropyridine-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2,6-dihydropyridine-1-carboxylate CAS Name: 2,6-dihydropyridine-1-carboxylic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] 2,6-dihydropyridine-1-carboxylate Traditional Name: 2,6-dihydropyridine-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C21H28NO2 MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2C[CH][CH][CH]C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)([C@@H]1CCCC[C@H]1OC(=O)N2C[CH][CH][CH]C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28NO2/c1-21(2,17-11-5-3-6-12-17)18-13-7-8-14-19(18)24-20(23)22-15-9-4-10-16-22/h3-6,9-12,18-19H,7-8,13-16H2,1-2H3/t18-,19-/m1/s1