[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C25H27FN2O4 MolecularWeight: 438.491283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C25H27FN2O4/c1-2-31-20-12-10-19(11-13-20)28(17-7-16-27)23(29)18-32-24(30)25(14-5-6-15-25)21-8-3-4-9-22(21)26/h3-4,8-13H,2,5-7,14-15,17-18H2,1H3