[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3/c1-23(2)16-10-8-15(9-11-16)20(26)27-14-19(25)24(13-5-12-22)18-7-4-3-6-17(18)21/h3-4,6-11H,5,13-14H2,1-2H3