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

Systemtic Name: hexyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: hexyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid hexyl ester Formula: C23H24BrNO3 MolecularWeight: 442.34556

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO3/c1-3-4-5-6-13-28-23(26)20-15-22(16-7-10-18(27-2)11-8-16)25-21-12-9-17(24)14-19(20)21/h7-12,14-15H,3-6,13H2,1-2H3