[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C27H20BrNO5 MolecularWeight: 518.3554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C27H20BrNO5/c1-16-3-5-18(6-4-16)25-14-23(22-13-20(28)9-12-24(22)29-25)27(32)33-15-26(31)19-7-10-21(11-8-19)34-17(2)30/h3-14H,15H2,1-2H3