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

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-ethylphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-ethylphenyl)cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C36H30BrNO5 MolecularWeight: 636.5311

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)Br)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)Br)CC

InChI

InChI=1S/C36H30BrNO5/c1-4-23-8-12-25(13-9-23)32-20-31(30-19-28(37)18-24(5-2)34(30)38-32)36(41)42-21-33(39)26-14-16-29(17-15-26)43-35(40)27-10-6-22(3)7-11-27/h6-20H,4-5,21H2,1-3H3