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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H22ClNO3/c1-14-20(22(27)28-13-19(26)23(2,3)4)17-7-5-6-8-18(17)25-21(14)15-9-11-16(24)12-10-15/h5-12H,13H2,1-4H3