(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-7-chloranyl-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-7-chloranyl-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-7-chloro-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-7-chloro-2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-(4-chlorophenyl)-8-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H20BrCl2NO3 MolecularWeight: 509.2198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H20BrCl2NO3/c1-12-20(26)17(24)9-15-16(22(29)30-11-19(28)23(2,3)4)10-18(27-21(12)15)13-5-7-14(25)8-6-13/h5-10H,11H2,1-4H3