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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-[4-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-ethylphenyl)-8-methyl-cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C35H28BrNO6 MolecularWeight: 638.50392

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)C

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)C

InChI

InChI=1S/C35H28BrNO6/c1-4-22-8-10-23(11-9-22)31-19-30(29-18-26(36)16-21(2)33(29)37-31)35(40)42-20-32(38)24-12-14-27(15-13-24)43-34(39)25-6-5-7-28(17-25)41-3/h5-19H,4,20H2,1-3H3