3-[[2,5-bis(oxidanyl)phenyl]methyl-(phenylmethyl)amino]benzoic acid

Systemtic Name: 3-[[2,5-bis(oxidanyl)phenyl]methyl-(phenylmethyl)amino]benzoic acid Openeye Name: 3-[benzyl-[(2,5-dihydroxyphenyl)methyl]amino]benzoic acid CAS Name: 3-[(2,5-dihydroxyphenyl)methyl-(phenylmethyl)amino]benzoic acid IUPAC Name: 3-[benzyl-[(2,5-dihydroxyphenyl)methyl]amino]benzoic acid Traditional Name: 3-[benzyl-(2,5-dihydroxybenzyl)amino]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H19NO4/c23-19-9-10-20(24)17(12-19)14-22(13-15-5-2-1-3-6-15)18-8-4-7-16(11-18)21(25)26/h1-12,23-24H,13-14H2,(H,25,26)