[(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16ClFN2O3 MolecularWeight: 386.804043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFN2O3/c1-11-9-15(14-5-3-4-6-18(14)23-11)20(26)27-12(2)19(25)24-13-7-8-17(22)16(21)10-13/h3-10,12H,1-2H3,(H,24,25)/t12-/m1/s1