3-[[(3-carboxyphenyl)methylamino]methyl]benzoic acid

Systemtic Name: 3-[[(3-carboxyphenyl)methylamino]methyl]benzoic acid Openeye Name: 3-[[(3-carboxyphenyl)methylamino]methyl]benzoic acid CAS Name: 3-[[(3-carboxyphenyl)methylamino]methyl]benzoic acid IUPAC Name: 3-[[(3-carboxyphenyl)methylamino]methyl]benzoic acid Traditional Name: 3-[[(3-carboxybenzyl)amino]methyl]benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO4/c18-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)16(20)21/h1-8,17H,9-10H2,(H,18,19)(H,20,21)