3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethyl-furan-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethyl-furan-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethyl-furan-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-[(3-carboxyanilino)-oxomethyl]-2,5-dimethyl-3-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethyl-3-furoyl]amino]benzoic acid Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18N2O7/c1-11-17(19(25)23-15-7-3-5-13(9-15)21(27)28)18(12(2)31-11)20(26)24-16-8-4-6-14(10-16)22(29)30/h3-10H,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)