[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 8-chloro-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-3-methyl-2-(p-tolyl)cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C33H23BrClNO5 MolecularWeight: 628.89642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C33H23BrClNO5/c1-19-6-8-22(9-7-19)30-20(2)29(26-4-3-5-27(35)31(26)36-30)33(39)40-18-28(37)21-12-16-25(17-13-21)41-32(38)23-10-14-24(34)15-11-23/h3-17H,18H2,1-2H3