[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3/c23-18-10-8-17(9-11-18)22(12-4-5-13-22)21(27)28-16-20(26)25(15-14-24)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-13,15-16H2