[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H22ClN3O5/c1-28-16-5-4-14(21)9-15(16)24-10-13(8-18(24)26)19(27)29-11-17(25)23-20(12-22)6-2-3-7-20/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,23,25)/t13-/m0/s1