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

Systemtic Name: [(1S)-1-cyanoethyl] (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-1-cyanoethyl] (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2S,3R)-1-butyl-6-keto-2-(2-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=CC=C2OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)O[C@@H](C)C#N)C2=CC=CC=C2OC

InChI

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