4-[[4-[[(4-carboxy-2-oxidanyl-phenyl)amino]methyl]phenyl]methylamino]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[[(4-carboxy-2-oxidanyl-phenyl)amino]methyl]phenyl]methylamino]-3-oxidanyl-benzoic acid Openeye Name: 4-[[4-[(4-carboxy-2-hydroxy-anilino)methyl]phenyl]methylamino]-3-hydroxy-benzoic acid CAS Name: 4-[[4-[(4-carboxy-2-hydroxyanilino)methyl]phenyl]methylamino]-3-hydroxybenzoic acid IUPAC Name: 4-[[4-[(4-carboxy-2-hydroxyanilino)methyl]phenyl]methylamino]-3-hydroxybenzoic acid Traditional Name: 4-[[4-[(4-carboxy-2-hydroxy-anilino)methyl]benzyl]amino]-3-hydroxy-benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(=O)O)O)CNC3=C(C=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(=O)O)O)CNC3=C(C=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H20N2O6/c25-19-9-15(21(27)28)5-7-17(19)23-11-13-1-2-14(4-3-13)12-24-18-8-6-16(22(29)30)10-20(18)26/h1-10,23-26H,11-12H2,(H,27,28)(H,29,30)