(phenylmethyl) 4-[2-[(4-chlorophenyl)amino]-1-cyano-2-oxidanylidene-ethylidene]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[(4-chlorophenyl)amino]-1-cyano-2-oxidanylidene-ethylidene]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(4-chloroanilino)-1-cyano-2-oxo-ethylidene]piperidine-1-carboxylate CAS Name: 4-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chloroanilino)-1-cyano-2-keto-ethylidene]piperidine-1-carboxylic acid benzyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)20(14-24)17-10-12-26(13-11-17)22(28)29-15-16-4-2-1-3-5-16/h1-9H,10-13,15H2,(H,25,27)