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

Systemtic Name: [2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[4-[(2-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-(4-o-toluoyloxyphenyl)ethyl] ester Formula: C35H27BrClNO5 MolecularWeight: 656.94958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C35H27BrClNO5/c1-4-22-16-25(36)18-29-31(21(3)32(38-33(22)29)24-9-7-10-26(37)17-24)35(41)42-19-30(39)23-12-14-27(15-13-23)43-34(40)28-11-6-5-8-20(28)2/h5-18H,4,19H2,1-3H3