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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-bromophenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-chloro-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-chloro-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H19BrClNO3 MolecularWeight: 460.74816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClNO3/c1-22(2,3)20(26)12-28-21(27)17-11-19(13-4-6-14(23)7-5-13)25-18-9-8-15(24)10-16(17)18/h4-11H,12H2,1-3H3