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

Systemtic Name: octyl 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: octyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid octyl ester Formula: C24H25BrClNO2 MolecularWeight: 474.8178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrClNO2/c1-2-3-4-5-6-7-14-29-24(28)21-16-23(17-8-11-19(26)12-9-17)27-22-13-10-18(25)15-20(21)22/h8-13,15-16H,2-7,14H2,1H3