[(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OC(C3=CC=C(C=C3)F)C(=O)N)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)O[C@@H](C3=CC=C(C=C3)F)C(=O)N)C

InChI

InChI=1S/C21H19FN2O3/c1-3-16-18(12(2)15-6-4-5-7-17(15)24-16)21(26)27-19(20(23)25)13-8-10-14(22)11-9-13/h4-11,19H,3H2,1-2H3,(H2,23,25)/t19-/m0/s1