[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O3/c1-3-6-15(2)25-22(27)14-29-23(28)19-13-21(16-9-11-17(24)12-10-16)26-20-8-5-4-7-18(19)20/h4-5,7-13,15H,3,6,14H2,1-2H3,(H,25,27)/t15-/m0/s1