[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate CAS Name: 2-[(4-chlorophenyl)methoxy]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate Traditional Name: 2-(4-chlorobenzyl)oxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4/c23-17-9-7-16(8-10-17)13-28-19-6-2-1-5-18(19)21(27)29-14-20(26)25-22(15-24)11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,25,26)