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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(12-4-5-13-21)19(26)27-14-18(25)24-20(15-23)10-2-1-3-11-20/h6-9H,1-5,10-14H2,(H,24,25)