2-[[1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]terephthalic acid Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8/c1-30-13-4-6-16(17(9-13)31-2)23-10-12(8-18(23)24)19(25)22-15-7-11(20(26)27)3-5-14(15)21(28)29/h3-7,9,12H,8,10H2,1-2H3,(H,22,25)(H,26,27)(H,28,29)