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

Systemtic Name: cyanomethyl (2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: cyanomethyl (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 cyanomethyl ester IUPAC Name: cyanomethyl (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 cyanomethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15-3-7-17(8-4-15)24-20(25)12-11-19(22(26)28-14-13-23)21(24)16-5-9-18(27-2)10-6-16/h3-10,19,21H,11-12,14H2,1-2H3/t19-,21-/m0/s1