[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H21FN4O4 MolecularWeight: 412.414243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)NC(=O)N

InChI

InChI=1S/C21H21FN4O4/c22-16-9-4-5-10-18(16)26(12-6-11-23)19(27)14-30-20(28)13-17(25-21(24)29)15-7-2-1-3-8-15/h1-5,7-10,17H,6,12-14H2,(H3,24,25,29)