5-bromanyl-3-[[(4-carboxyphenyl)amino]-(2,5-dimethoxyphenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[[(4-carboxyphenyl)amino]-(2,5-dimethoxyphenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-3-[(4-carboxyanilino)-(2,5-dimethoxyphenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-bromo-3-[(4-carboxyanilino)-(2,5-dimethoxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-bromo-3-[(4-carboxyanilino)-(2,5-dimethoxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-bromo-3-[(4-carboxyanilino)-(2,5-dimethoxyphenyl)methyl]-2-hydroxy-benzoic acid Formula: C23H20BrNO7 MolecularWeight: 502.3114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=C(C(=CC(=C2)Br)C(=O)O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=C(C(=CC(=C2)Br)C(=O)O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20BrNO7/c1-31-15-7-8-19(32-2)16(11-15)20(25-14-5-3-12(4-6-14)22(27)28)17-9-13(24)10-18(21(17)26)23(29)30/h3-11,20,25-26H,1-2H3,(H,27,28)(H,29,30)