3-[[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoic acid Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C25H19BrN2O3/c1-14-6-7-16(10-15(14)2)23-13-21(20-12-18(26)8-9-22(20)28-23)24(29)27-19-5-3-4-17(11-19)25(30)31/h3-13H,1-2H3,(H,27,29)(H,30,31)