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

Systemtic Name: 2-methylpropyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: isobutyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid isobutyl ester Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO2/c1-13(2)12-24-20(23)17-11-19(14-7-9-15(21)10-8-14)22-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3