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

Systemtic Name: hexyl 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: hexyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid hexyl ester Formula: C22H21BrClNO2 MolecularWeight: 446.76464

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClNO2/c1-2-3-4-5-12-27-22(26)19-14-21(15-6-9-17(24)10-7-15)25-20-11-8-16(23)13-18(19)20/h6-11,13-14H,2-5,12H2,1H3