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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H17FN2O4 MolecularWeight: 356.347683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)O

InChI

InChI=1S/C19H17FN2O4/c1-13-7-8-14(17(23)11-13)19(25)26-12-18(24)22(10-4-9-21)16-6-3-2-5-15(16)20/h2-3,5-8,11,23H,4,10,12H2,1H3