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

Systemtic Name: ethyl 2-[[(2S)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-2-29-21(27)15-9-5-6-10-16(15)23-19(26)17-11-12-18(25)24(17)20-13-7-3-4-8-14(13)22(28)30-20/h3-10,17,20H,2,11-12H2,1H3,(H,23,26)/t17-,20?/m0/s1