(3,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6,8-dimethyl-cinchoninic acid (3,5-dimethylphenyl) ester Formula: C26H22BrNO2 MolecularWeight: 460.36238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H22BrNO2/c1-15-9-16(2)12-21(11-15)30-26(29)23-14-24(19-5-7-20(27)8-6-19)28-25-18(4)10-17(3)13-22(23)25/h5-14H,1-4H3