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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(2,5-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H20BrNO3/c1-16-7-8-17(2)21(13-16)24-14-22(20-5-3-4-6-23(20)28-24)26(30)31-15-25(29)18-9-11-19(27)12-10-18/h3-14H,15H2,1-2H3