[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C27H22BrNO6 MolecularWeight: 536.37068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO6/c1-32-24-12-17(13-25(33-2)26(24)34-3)23(30)15-35-27(31)20-14-22(16-8-10-18(28)11-9-16)29-21-7-5-4-6-19(20)21/h4-14H,15H2,1-3H3