methyl 5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-[3-(cyclopentoxy)-4-(difluoromethoxy)phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-[3-(cyclopentoxy)-4-(difluoromethoxy)phenyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C21H23F2NO5 MolecularWeight: 407.407826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)OC(F)F)OC3CCCC3

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)OC(F)F)OC3CCCC3

InChI

InChI=1S/C21H23F2NO5/c1-27-19(26)15-11-21(12-24,9-8-16(15)25)13-6-7-17(29-20(22)23)18(10-13)28-14-4-2-3-5-14/h6-7,10,14-15,20H,2-5,8-9,11H2,1H3