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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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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)C)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)C)C)C

InChI

InChI=1S/C28H25NO3/c1-17-9-11-21(13-19(17)3)26-15-24(23-7-5-6-8-25(23)29-26)28(31)32-16-27(30)22-12-10-18(2)20(4)14-22/h5-15H,16H2,1-4H3