4-[[3-(aminomethyl)phenyl]carbonyl-(carboxymethyl)amino]benzoic acid

Systemtic Name: 4-[[3-(aminomethyl)phenyl]carbonyl-(carboxymethyl)amino]benzoic acid Openeye Name: 4-[[3-(aminomethyl)benzoyl]-(carboxymethyl)amino]benzoic acid CAS Name: 4-[[[3-(aminomethyl)phenyl]-oxomethyl]-(carboxymethyl)amino]benzoic acid IUPAC Name: 4-[[3-(aminomethyl)benzoyl]-(carboxymethyl)amino]benzoic acid Traditional Name: 4-[[3-(aminomethyl)benzoyl]-(carboxymethyl)amino]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c18-9-11-2-1-3-13(8-11)16(22)19(10-15(20)21)14-6-4-12(5-7-14)17(23)24/h1-8H,9-10,18H2,(H,20,21)(H,23,24)