[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4/c23-17-6-10-19(11-7-17)26(14-2-12-24)21(28)15-30-22(29)16-4-8-18(9-5-16)25-13-1-3-20(25)27/h4-11H,1-3,13-15H2