4-azanylbutanoic acid; 2-(2-carboxyphenyl)carbonyloxycarbonylbenzoic acid

Systemtic Name: 4-azanylbutanoic acid; 2-(2-carboxyphenyl)carbonyloxycarbonylbenzoic acid Openeye Name: 4-aminobutanoic acid; 2-(2-carboxybenzoyl)oxycarbonylbenzoic acid CAS Name: 4-aminobutanoic acid; 2-[[(2-carboxyphenyl)-oxomethoxy]-oxomethyl]benzoic acid IUPAC Name: 4-aminobutanoic acid; 2-(2-carboxybenzoyl)oxycarbonylbenzoic acid Traditional Name: 4-aminobutyric acid; 2-(2-carboxybenzoyl)oxycarbonylbenzoic acid Formula: C20H19NO9 MolecularWeight: 417.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(=O)C2=CC=CC=C2C(=O)O.C(CC(=O)O)CN

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(=O)C2=CC=CC=C2C(=O)O.C(CC(=O)O)CN

InChI

InChI=1S/C16H10O7.C4H9NO2/c17-13(18)9-5-1-3-7-11(9)15(21)23-16(22)12-8-4-2-6-10(12)14(19)20;5-3-1-2-4(6)7/h1-8H,(H,17,18)(H,19,20);1-3,5H2,(H,6,7)