methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-27-16-8-9-17(18(11-16)28-2)23-12-14(10-19(23)24)20(25)22-15-6-4-13(5-7-15)21(26)29-3/h4-9,11,14H,10,12H2,1-3H3,(H,22,25)/t14-/m0/s1