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

Systemtic Name: methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-1-(2,5-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)OC)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-27-14-8-9-18(28-2)17(11-14)23-12-13(10-19(23)24)20(25)22-16-7-5-4-6-15(16)21(26)29-3/h4-9,11,13H,10,12H2,1-3H3,(H,22,25)/t13-/m0/s1