[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H22FN3O5/c1-14(2)19(24-20(27)17-9-5-12-29-17)21(28)30-13-18(26)25(11-6-10-23)16-8-4-3-7-15(16)22/h3-5,7-9,12,14,19H,6,11,13H2,1-2H3,(H,24,27)