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

Systemtic Name: methyl 4-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[[1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-28-17-9-8-16(11-18(17)29-2)24-12-15(10-19(24)25)23-21(27)22-14-6-4-13(5-7-14)20(26)30-3/h4-9,11,15H,10,12H2,1-3H3,(H2,22,23,27)