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

Systemtic Name: [2-[4-(2-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(2-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-[(2-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-o-anisoyloxyphenyl)ethyl] ester Formula: C35H28BrNO6 MolecularWeight: 638.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5OC

InChI

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