(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO3/c1-14-5-10-19-17(11-14)18(22(27)28-13-21(26)23(2,3)4)12-20(25-19)15-6-8-16(24)9-7-15/h5-12H,13H2,1-4H3