[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C28H23NO5 MolecularWeight: 453.48592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO5/c1-17-8-9-21(14-18(17)2)26-15-24(23-6-4-5-7-25(23)29-26)28(32)33-16-27(31)20-10-12-22(13-11-20)34-19(3)30/h4-15H,16H2,1-3H3