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

Systemtic Name: 4-[[4-carboxy-3-(methylamino)phenyl]methyl]-2-(methylamino)benzoic acid Openeye Name: 4-[[4-carboxy-3-(methylamino)phenyl]methyl]-2-(methylamino)benzoic acid CAS Name: 4-[[4-carboxy-3-(methylamino)phenyl]methyl]-2-(methylamino)benzoic acid IUPAC Name: 4-[[4-carboxy-3-(methylamino)phenyl]methyl]-2-(methylamino)benzoic acid Traditional Name: 4-[4-carboxy-3-(methylamino)benzyl]-2-(methylamino)benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)NC)C(=O)O

Isomeric SMILES

CNC1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)NC)C(=O)O

InChI

InChI=1S/C17H18N2O4/c1-18-14-8-10(3-5-12(14)16(20)21)7-11-4-6-13(17(22)23)15(9-11)19-2/h3-6,8-9,18-19H,7H2,1-2H3,(H,20,21)(H,22,23)