[2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6-bromanyl-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6-bromanyl-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzoyloxyphenyl)-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-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 6-bromo-8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-ethylphenyl)cinchoninic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C35H28BrNO5 MolecularWeight: 622.50452

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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=CC=C5)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=CC=C5)Br)CC

InChI

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