4-[[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-bromo-2-phenylquinoline-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]methyl]benzoic acid Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H17BrN2O3/c25-18-10-11-21-19(12-18)20(13-22(27-21)16-4-2-1-3-5-16)23(28)26-14-15-6-8-17(9-7-15)24(29)30/h1-13H,14H2,(H,26,28)(H,29,30)