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

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,6S)-2-methyl-6-propyl-2,6-dihydropyridine-1-carboxylate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S,6S)-2-methyl-6-propyl-2,6-dihydropyridine-1-carboxylate CAS Name: (2S,6S)-2-methyl-6-propyl-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] (2S,6S)-2-methyl-6-propyl-2,6-dihydropyridine-1-carboxylate Traditional Name: (2S,6S)-2-methyl-6-propyl-2,6-dihydropyridine-1-carboxylic acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C25H36NO2 MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1[CH][CH][CH]C(N1C(=O)OC2CCCCC2C(C)(C)C3=CC=CC=C3)C

Isomeric SMILES

CCC[C@@H]1[CH][CH][CH][C@@H](N1C(=O)O[C@@H]2CCCC[C@H]2C(C)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H36NO2/c1-5-12-21-16-11-13-19(2)26(21)24(27)28-23-18-10-9-17-22(23)25(3,4)20-14-7-6-8-15-20/h6-8,11,13-16,19,21-23H,5,9-10,12,17-18H2,1-4H3/t19-,21+,22+,23+/m0/s1