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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2,4-dichlorophenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2,4-dichlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2,4-dichlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dichlorophenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2NO3/c1-22(2,3)20(26)12-28-21(27)16-11-19(15-9-8-13(23)10-17(15)24)25-18-7-5-4-6-14(16)18/h4-11H,12H2,1-3H3