[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C19H17FN2O3 MolecularWeight: 340.348283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O3/c1-14-8-9-15(12-17(14)20)19(24)25-13-18(23)22(11-5-10-21)16-6-3-2-4-7-16/h2-4,6-9,12H,5,11,13H2,1H3