(3,3-dimethyl-2-oxidanylidene-butyl) 6-chloranyl-3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-chloranyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-chloro-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-methyl-2-phenyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-chloro-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-chloro-3-methyl-2-phenyl-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(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C(C)(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C(C)(C)C)Cl)C3=CC=CC=C3

InChI

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