methyl (2S,3S,4R)-2-cyano-1,2-dimethyl-6-oxidanylidene-4-phenyl-piperidine-3-carboxylate

Systemtic Name: methyl (2S,3S,4R)-2-cyano-1,2-dimethyl-6-oxidanylidene-4-phenyl-piperidine-3-carboxylate Openeye Name: methyl (2S,3S,4R)-2-cyano-1,2-dimethyl-6-oxo-4-phenyl-piperidine-3-carboxylate CAS Name: (2S,3S,4R)-2-cyano-1,2-dimethyl-6-oxo-4-phenyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R)-2-cyano-1,2-dimethyl-6-oxo-4-phenylpiperidine-3-carboxylate Traditional Name: (2S,3S,4R)-2-cyano-6-keto-1,2-dimethyl-4-phenyl-nipecotic acid methyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC(=O)N1C)C2=CC=CC=C2)C(=O)OC)C#N

Isomeric SMILES

C[C@]1([C@H]([C@@H](CC(=O)N1C)C2=CC=CC=C2)C(=O)OC)C#N

InChI

InChI=1S/C16H18N2O3/c1-16(10-17)14(15(20)21-3)12(9-13(19)18(16)2)11-7-5-4-6-8-11/h4-8,12,14H,9H2,1-3H3/t12-,14+,16+/m0/s1