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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO5/c1-17-9-11-20(18(2)13-17)24-15-22(21-7-5-6-8-23(21)29-24)28(31)34-16-25(30)19-10-12-26(32-3)27(14-19)33-4/h5-15H,16H2,1-4H3