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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-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-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-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-m-anisoyloxyphenyl)ethyl] ester Formula: C36H30BrNO6 MolecularWeight: 652.5305

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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=C5)OC

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=C5)OC

InChI

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