(3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 8-chloro-2-phenyl-quinoline-4-carboxylate CAS Name: 8-chloro-2-phenyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 8-chloro-2-phenylquinoline-4-carboxylate Traditional Name: 8-chloro-2-phenyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO3/c1-22(2,3)19(25)13-27-21(26)16-12-18(14-8-5-4-6-9-14)24-20-15(16)10-7-11-17(20)23/h4-12H,13H2,1-3H3