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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27ClN2O6 MolecularWeight: 426.89118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O6/c1-5-13(6-2)22-18(24)11-29-20(26)12-7-19(25)23(10-12)15-8-14(21)16(27-3)9-17(15)28-4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,24)/t12-/m0/s1