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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C42H34BrNO7 MolecularWeight: 744.62586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)OC

InChI

InChI=1S/C42H34BrNO7/c1-4-28-21-32(43)23-36-38(26(2)39(44-40(28)36)30-15-17-33(18-16-30)49-24-27-9-6-5-7-10-27)42(47)50-25-37(45)29-13-19-34(20-14-29)51-41(46)31-11-8-12-35(22-31)48-3/h5-23H,4,24-25H2,1-3H3