[(1S)-1-cyanoethyl] (2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] (2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-1-cyanoethyl] (2R,3S)-2-(4-methoxyphenyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: (2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-6-keto-2-(4-methoxyphenyl)-1-(p-tolyl)nipecotic acid [(1S)-1-cyanoethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC(C)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)O[C@@H](C)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H24N2O4/c1-15-4-8-18(9-5-15)25-21(26)13-12-20(23(27)29-16(2)14-24)22(25)17-6-10-19(28-3)11-7-17/h4-11,16,20,22H,12-13H2,1-3H3/t16-,20-,22-/m0/s1