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

Systemtic Name: methyl 5-[4-[bis(fluoranyl)methoxy]-2-(cyclopropylmethoxy)phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C20H21F2NO5 MolecularWeight: 393.381246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(C#N)C2=C(C=C(C=C2)OC(F)F)OCC3CC3

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(C#N)C2=C(C=C(C=C2)OC(F)F)OCC3CC3

InChI

InChI=1S/C20H21F2NO5/c1-26-18(25)14-9-20(11-23,7-6-16(14)24)15-5-4-13(28-19(21)22)8-17(15)27-10-12-2-3-12/h4-5,8,12,14,19H,2-3,6-7,9-10H2,1H3