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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-3-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C32H32BrNO4 MolecularWeight: 574.50478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C32H32BrNO4/c1-6-22-16-24(33)17-26-28(31(36)38-19-27(35)32(3,4)5)20(2)29(34-30(22)26)23-12-14-25(15-13-23)37-18-21-10-8-7-9-11-21/h7-17H,6,18-19H2,1-5H3