[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-6-keto-1-(p-tolyl)nipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O6/c1-17-5-8-19(9-6-17)29-24(31)12-10-20(26(32)35-16-23(30)28-14-4-13-27)25(29)18-7-11-21(33-2)22(15-18)34-3/h5-9,11,15,20,25H,4,10,12,14,16H2,1-3H3,(H,28,30)