[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

InChI

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