[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H25FN2O5 MolecularWeight: 428.453403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C23H25FN2O5/c1-2-29-20-11-5-6-12-21(20)30-16-7-13-23(28)31-17-22(27)26(15-8-14-25)19-10-4-3-9-18(19)24/h3-6,9-12H,2,7-8,13,15-17H2,1H3