[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19FN2O3/c1-14(20(25)23-13-12-15-6-9-17(22)10-7-15)27-21(26)19-11-8-16-4-2-3-5-18(16)24-19/h2-11,14H,12-13H2,1H3,(H,23,25)/t14-/m1/s1