(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-(p-tolyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C(C)(C)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C(C)(C)C)Br)C

InChI

InChI=1S/C25H26BrNO3/c1-14-7-9-17(10-8-14)23-16(3)21(24(29)30-13-20(28)25(4,5)6)19-12-18(26)11-15(2)22(19)27-23/h7-12H,13H2,1-6H3