methyl 4-chloranyl-3-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)OC

InChI

InChI=1S/C21H21ClN2O6/c1-28-17-7-5-14(10-18(17)29-2)24-11-13(9-19(24)25)20(26)23-16-8-12(21(27)30-3)4-6-15(16)22/h4-8,10,13H,9,11H2,1-3H3,(H,23,26)