[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4/c1-16-6-4-7-17(14-16)27-13-10-21(26)28-15-20(25)24(12-5-11-23)19-9-3-2-8-18(19)22/h2-4,6-9,14H,5,10,12-13,15H2,1H3