(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2,4-dichlorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2,4-dichlorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2,4-dichlorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(2,4-dichlorophenyl)-8-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2,4-dichlorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(2,4-dichlorophenyl)-8-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H21Cl2NO3 MolecularWeight: 430.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H21Cl2NO3/c1-13-6-5-7-15-17(22(28)29-12-20(27)23(2,3)4)11-19(26-21(13)15)16-9-8-14(24)10-18(16)25/h5-11H,12H2,1-4H3