hexyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: hexyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: hexyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid hexyl ester Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H24BrNO2/c1-3-4-5-6-13-27-23(26)20-15-22(17-9-7-16(2)8-10-17)25-21-12-11-18(24)14-19(20)21/h7-12,14-15H,3-6,13H2,1-2H3