(4-chloranyl-3-methyl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (4-chloro-3-methyl-phenyl) ester Formula: C23H15BrClNO2 MolecularWeight: 452.7277

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H15BrClNO2/c1-14-12-17(10-11-20(14)25)28-23(27)19-13-22(15-6-8-16(24)9-7-15)26-21-5-3-2-4-18(19)21/h2-13H,1H3