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

Systemtic Name: pentyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: pentyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid amyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO2/c1-2-3-6-13-25-21(24)18-14-20(15-9-11-16(22)12-10-15)23-19-8-5-4-7-17(18)19/h4-5,7-12,14H,2-3,6,13H2,1H3