[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxidanylidene-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylate

Systemtic Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxidanylidene-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylate Openeye Name: [(1S,2R)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-4-oxo-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylate CAS Name: (2S)-4-oxo-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylic acid [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxo-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S)-4-keto-2-pent-4-enyl-2,3-dihydropyridine-1-carboxylic acid [(1S,2R)-2-cumylcyclohexyl] ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2C=CC(=O)CC2CCCC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C)([C@H]1CCCC[C@@H]1OC(=O)N2C=CC(=O)C[C@@H]2CCCC=C)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO3/c1-4-5-7-14-21-19-22(28)17-18-27(21)25(29)30-24-16-11-10-15-23(24)26(2,3)20-12-8-6-9-13-20/h4,6,8-9,12-13,17-18,21,23-24H,1,5,7,10-11,14-16,19H2,2-3H3/t21-,23-,24-/m0/s1