4-[[(3-methoxy-4-oxidanyl-phenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoic acid

Systemtic Name: 4-[[(3-methoxy-4-oxidanyl-phenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoic acid Openeye Name: 4-[[(4-hydroxy-3-methoxy-phenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid CAS Name: 4-[[(4-hydroxy-3-methoxyphenyl)-(8-hydroxy-7-quinolinyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(4-hydroxy-3-methoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid Traditional Name: 4-[[(4-hydroxy-3-methoxy-phenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C24H20N2O5/c1-31-20-13-16(7-11-19(20)27)21(26-17-8-4-15(5-9-17)24(29)30)18-10-6-14-3-2-12-25-22(14)23(18)28/h2-13,21,26-28H,1H3,(H,29,30)