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

Systemtic Name: pentyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: pentyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid amyl ester Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO2/c1-3-4-5-12-26-22(25)19-14-21(16-8-6-15(2)7-9-16)24-20-11-10-17(23)13-18(19)20/h6-11,13-14H,3-5,12H2,1-2H3