[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O4/c1-15(24-20(27)16-8-3-2-4-9-16)21(28)29-14-19(26)25(13-7-12-23)18-11-6-5-10-17(18)22/h2-6,8-11,15H,7,13-14H2,1H3,(H,24,27)