[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluoranylphenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluoranylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-fluorophenoxy)acetate CAS Name: 2-(2-fluorophenoxy)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate Traditional Name: 2-(2-fluorophenoxy)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2F)C

InChI

InChI=1S/C21H21FN2O4/c1-15-10-16(2)12-17(11-15)24(9-5-8-23)20(25)13-28-21(26)14-27-19-7-4-3-6-18(19)22/h3-4,6-7,10-12H,5,9,13-14H2,1-2H3