3-[[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]methyl]benzoic acid Openeye Name: 3-[[benzyl(quinoline-2-carbonyl)amino]methyl]benzoic acid CAS Name: 3-[[[oxo(2-quinolinyl)methyl]-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzyl(quinoline-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 3-[[benzyl(quinaldoyl)amino]methyl]benzoic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C(=O)O)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H20N2O3/c28-24(23-14-13-20-10-4-5-12-22(20)26-23)27(16-18-7-2-1-3-8-18)17-19-9-6-11-21(15-19)25(29)30/h1-15H,16-17H2,(H,29,30)