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

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C27H20BrNO6 MolecularWeight: 534.3548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H20BrNO6/c1-16(30)35-21-10-5-18(6-11-21)26(31)15-34-27(32)23-14-25(17-3-8-20(33-2)9-4-17)29-24-12-7-19(28)13-22(23)24/h3-14H,15H2,1-2H3