[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C26H20BrNO5 MolecularWeight: 506.3447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C26H20BrNO5/c1-31-18-11-12-20(25(13-18)32-2)24(29)15-33-26(30)21-14-23(16-7-9-17(27)10-8-16)28-22-6-4-3-5-19(21)22/h3-14H,15H2,1-2H3