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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(3-methoxyphenyl)-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-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(3-methoxyphenyl)cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C35H28BrNO7 MolecularWeight: 654.50332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H28BrNO7/c1-4-21-15-25(36)18-29-30(19-31(37-33(21)29)23-7-5-9-27(16-23)41-2)35(40)43-20-32(38)22-11-13-26(14-12-22)44-34(39)24-8-6-10-28(17-24)42-3/h5-19H,4,20H2,1-3H3