[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-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] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@H](C)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O3/c1-14-19-6-4-5-7-20(19)26-15(2)21(14)23(28)29-16(3)22(27)25-13-12-17-8-10-18(24)11-9-17/h4-11,16H,12-13H2,1-3H3,(H,25,27)/t16-/m1/s1