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

Systemtic Name: 2-methylpropyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: isobutyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid isobutyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(C)C

InChI

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