4-[[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]methyl]benzoic acid Openeye Name: 4-[[benzyl(pyridine-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[benzyl(pyridine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[benzyl(nicotinoyl)amino]methyl]benzoic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c24-20(19-7-4-12-22-13-19)23(14-16-5-2-1-3-6-16)15-17-8-10-18(11-9-17)21(25)26/h1-13H,14-15H2,(H,25,26)