ethyl 5-cyano-4-(4-methylphenyl)-2-oxidanyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-methylphenyl)-2-oxidanyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate Openeye Name: ethyl 5-cyano-2-hydroxy-6-oxo-2-phenyl-4-(p-tolyl)piperidine-3-carboxylate CAS Name: 5-cyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-2-phenyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-2-phenylpiperidine-3-carboxylate Traditional Name: 5-cyano-2-hydroxy-6-keto-2-phenyl-4-(p-tolyl)nipecotic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)NC1(C2=CC=CC=C2)O)C#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C(C(C(=O)NC1(C2=CC=CC=C2)O)C#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O4/c1-3-28-21(26)19-18(15-11-9-14(2)10-12-15)17(13-23)20(25)24-22(19,27)16-7-5-4-6-8-16/h4-12,17-19,27H,3H2,1-2H3,(H,24,25)