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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-8-ethyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H28BrNO4 MolecularWeight: 498.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4/c1-7-16-12-18(27)13-20-22(25(30)32-14-21(29)26(3,4)5)15(2)23(28-24(16)20)17-8-10-19(31-6)11-9-17/h8-13H,7,14H2,1-6H3