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

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C35H28BrNO6 MolecularWeight: 638.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)C

Isomeric SMILES

CCC1=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)C

InChI

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