[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-(o-tolyl)acetate CAS Name: 2-(2-methylphenyl)acetic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate Traditional Name: 2-(o-tolyl)acetic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H19FN2O3 MolecularWeight: 354.374863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O3/c1-15-5-2-3-6-16(15)13-20(25)26-14-19(24)23(12-4-11-22)18-9-7-17(21)8-10-18/h2-3,5-10H,4,12-14H2,1H3