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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC)Br)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC)Br)CC

InChI

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