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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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