[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H18FN3O4/c1-15-20(21(25-30-15)16-8-3-2-4-9-16)22(28)29-14-19(27)26(13-7-12-24)18-11-6-5-10-17(18)23/h2-6,8-11H,7,13-14H2,1H3