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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[N-(2-cyanoethyl)-4-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=C(C=C2)F)O

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O4/c1-13-3-8-16(17(23)11-13)19(25)26-12-18(24)22(10-2-9-21)15-6-4-14(20)5-7-15/h3-8,11,23H,2,10,12H2,1H3