(2,3-dimethylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (2,3-dimethylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (2,3-dimethylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (2,3-dimethylphenyl) ester Formula: C24H18BrNO2 MolecularWeight: 432.30922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C24H18BrNO2/c1-15-6-5-9-23(16(15)2)28-24(27)20-14-22(17-10-12-18(25)13-11-17)26-21-8-4-3-7-19(20)21/h3-14H,1-2H3