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

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-ethyl-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] 6-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C35H28BrNO5 MolecularWeight: 622.50452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C35H28BrNO5/c1-4-23-7-18-30-29(19-23)32(22(3)33(37-30)25-8-5-21(2)6-9-25)35(40)41-20-31(38)24-12-16-28(17-13-24)42-34(39)26-10-14-27(36)15-11-26/h5-19H,4,20H2,1-3H3