2-[[2,3-bis(ethoxycarbonyl)-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[2,3-bis(ethoxycarbonyl)-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-benzyl-2,3-bis(ethoxycarbonyl)-5-oxo-2H-pyrrol-4-yl]amino]acetic acid CAS Name: 2-[[2,3-bis(ethoxycarbonyl)-5-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]amino]acetic acid IUPAC Name: 2-[[1-benzyl-2,3-bis(ethoxycarbonyl)-5-oxo-2H-pyrrol-4-yl]amino]acetic acid Traditional Name: 2-[(1-benzyl-4,5-dicarbethoxy-2-keto-3-pyrrolin-3-yl)amino]acetic acid Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(C(=O)N1CC2=CC=CC=C2)NCC(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1C(=C(C(=O)N1CC2=CC=CC=C2)NCC(=O)O)C(=O)OCC

InChI

InChI=1S/C19H22N2O7/c1-3-27-18(25)14-15(20-10-13(22)23)17(24)21(16(14)19(26)28-4-2)11-12-8-6-5-7-9-12/h5-9,16,20H,3-4,10-11H2,1-2H3,(H,22,23)