(4-bromanyl-2-chloranyl-phenyl) 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (4-bromo-2-chloro-phenyl) ester Formula: C23H15BrClNO2 MolecularWeight: 452.7277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=C(C=C(C=C4)Br)Cl

InChI

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