[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O3/c1-4-17-13(2)20(15-9-5-7-11-18(15)24-17)22(27)28-14(3)21(26)25-19-12-8-6-10-16(19)23/h5-12,14H,4H2,1-3H3,(H,25,26)/t14-/m1/s1