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

Systemtic Name: [2-[4-(4-chlorophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [2-[4-[(4-chlorophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-8-methyl-cinchoninic acid [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C33H23BrClNO6 MolecularWeight: 644.89582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H23BrClNO6/c1-19-15-23(34)16-27-28(17-29(36-31(19)27)20-5-11-25(40-2)12-6-20)33(39)41-18-30(37)21-7-13-26(14-8-21)42-32(38)22-3-9-24(35)10-4-22/h3-17H,18H2,1-2H3