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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC(=O)NC3CC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NC3CC3)Cl)OC

InChI

InChI=1S/C18H21ClN2O6/c1-25-14-7-15(26-2)13(6-12(14)19)21-8-10(5-17(21)23)18(24)27-9-16(22)20-11-3-4-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)/t10-/m0/s1