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

Systemtic Name: pentyl 6-bromanyl-2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: pentyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)cinchoninic acid amyl ester Formula: C21H19Br2NO2 MolecularWeight: 477.18906

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19Br2NO2/c1-2-3-4-11-26-21(25)18-13-20(14-5-7-15(22)8-6-14)24-19-10-9-16(23)12-17(18)19/h5-10,12-13H,2-4,11H2,1H3