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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-ethylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H21FN2O4/c1-2-16-4-10-19(11-5-16)27-15-21(26)28-14-20(25)24(13-3-12-23)18-8-6-17(22)7-9-18/h4-11H,2-3,13-15H2,1H3