[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O4/c19-15-4-2-13(3-5-15)17(24)22-10-6-14(7-11-22)18(25)26-12-16(23)21-9-1-8-20/h2-5,14H,1,6-7,9-12H2,(H,21,23)