(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H26BrNO4/c1-6-15-11-17(26)12-19-20(24(29)31-14-22(28)25(2,3)4)13-21(27-23(15)19)16-7-9-18(30-5)10-8-16/h7-13H,6,14H2,1-5H3