[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H18BrFN2O4 MolecularWeight: 449.270323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H18BrFN2O4/c1-14(28-16-9-7-15(21)8-10-16)20(26)27-13-19(25)24(12-4-11-23)18-6-3-2-5-17(18)22/h2-3,5-10,14H,4,12-13H2,1H3