3-[[4-[[(3-carboxyphenyl)amino]methyl]phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[4-[[(3-carboxyphenyl)amino]methyl]phenyl]methylamino]benzoic acid Openeye Name: 3-[[4-[(3-carboxyanilino)methyl]phenyl]methylamino]benzoic acid CAS Name: 3-[[4-[(3-carboxyanilino)methyl]phenyl]methylamino]benzoic acid IUPAC Name: 3-[[4-[(3-carboxyanilino)methyl]phenyl]methylamino]benzoic acid Traditional Name: 3-[[4-[(3-carboxyanilino)methyl]benzyl]amino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O4/c25-21(26)17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(12-20)22(27)28/h1-12,23-24H,13-14H2,(H,25,26)(H,27,28)