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

Systemtic Name: hexyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: hexyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid hexyl ester Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO2/c1-2-3-4-7-14-26-22(25)19-15-21(16-10-12-17(23)13-11-16)24-20-9-6-5-8-18(19)20/h5-6,8-13,15H,2-4,7,14H2,1H3