[2-[4-(2-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(2-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(2-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-o-anisoyloxyphenyl)ethyl] ester Formula: C36H30BrNO6 MolecularWeight: 652.5305

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)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C36H30BrNO6/c1-5-23-18-26(37)19-29-32(22(3)33(38-34(23)29)25-12-10-21(2)11-13-25)36(41)43-20-30(39)24-14-16-27(17-15-24)44-35(40)28-8-6-7-9-31(28)42-4/h6-19H,5,20H2,1-4H3