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

Systemtic Name: butyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: butyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid butyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO2/c1-3-4-11-25-21(24)18-13-20(15-7-5-14(2)6-8-15)23-19-10-9-16(22)12-17(18)19/h5-10,12-13H,3-4,11H2,1-2H3