[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O3/c1-4-23(2,3)26-21(27)14-29-22(28)18-13-20(15-9-11-16(24)12-10-15)25-19-8-6-5-7-17(18)19/h5-13H,4,14H2,1-3H3,(H,26,27)