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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

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