[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19ClN2O3/c22-17-8-6-16(7-9-17)21(10-1-2-11-21)20(26)27-14-19(25)24-18-5-3-4-15(12-18)13-23/h3-9,12H,1-2,10-11,14H2,(H,24,25)