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

Systemtic Name: [(1S)-1-cyanoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-1-cyanoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [(1S)-1-cyanoethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N2O4/c1-4-5-12-22-18(23)11-10-17(20(24)26-14(2)13-21)19(22)15-6-8-16(25-3)9-7-15/h6-9,14,17,19H,4-5,10-12H2,1-3H3/t14-,17-,19-/m0/s1