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

Systemtic Name: methyl 2-[[(2S)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(2S)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[(2S)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-2-pyrrolidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 2-[[(2S)-5-keto-1-phthalidyl-prolyl]amino]benzoic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@@H]2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H18N2O6/c1-28-20(26)14-8-4-5-9-15(14)22-18(25)16-10-11-17(24)23(16)19-12-6-2-3-7-13(12)21(27)29-19/h2-9,16,19H,10-11H2,1H3,(H,22,25)/t16-,19?/m0/s1