[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H23ClN2O6 MolecularWeight: 398.83802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C18H23ClN2O6/c1-10(2)20-16(22)9-27-18(24)11-5-17(23)21(8-11)13-6-12(19)14(25-3)7-15(13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,22)/t11-/m0/s1