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

Systemtic Name: octyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: octyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid octyl ester Formula: C25H28BrNO2 MolecularWeight: 454.39932

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrNO2/c1-3-4-5-6-7-8-15-29-25(28)22-17-24(19-11-9-18(2)10-12-19)27-23-14-13-20(26)16-21(22)23/h9-14,16-17H,3-8,15H2,1-2H3