[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

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