2-methylpropyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-methylpropyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: isobutyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-methyl-cinchoninic acid isobutyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(C)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(C)C)C3=CC=C(C=C3)Br

InChI

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