3-[[carboxymethyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid

Systemtic Name: 3-[[carboxymethyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid Openeye Name: 3-[[carboxymethyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid CAS Name: 3-[[carboxymethyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[carboxymethyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid Traditional Name: 3-[[(3-carboxybenzyl)-(carboxymethyl)amino]methyl]benzoic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c20-16(21)11-19(9-12-3-1-5-14(7-12)17(22)23)10-13-4-2-6-15(8-13)18(24)25/h1-8H,9-11H2,(H,20,21)(H,22,23)(H,24,25)