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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H20BrNO3 MolecularWeight: 426.3031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO3/c1-22(2,3)20(25)13-27-21(26)17-12-19(14-7-5-4-6-8-14)24-18-10-9-15(23)11-16(17)18/h4-12H,13H2,1-3H3