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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5/c1-25-14-4-3-12(18)8-13(14)21-9-11(7-16(21)23)17(24)26-10-15(22)20-6-2-5-19/h3-4,8,11H,2,6-7,9-10H2,1H3,(H,20,22)/t11-/m0/s1