[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c24-13-10-17-6-8-20(9-7-17)25-21(28)16-31-22(29)18-11-14-27(15-12-18)23(30)26-19-4-2-1-3-5-19/h1-9,18H,10-12,14-16H2,(H,25,28)(H,26,30)