dimethyl 4-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]-4-cyano-heptanedioate Openeye Name: dimethyl 4-cyano-4-[3-(cyclopentoxy)-4-(difluoromethoxy)phenyl]heptanedioate CAS Name: 4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]heptanedioate Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-(difluoromethoxy)phenyl]pimelic acid dimethyl ester Formula: C22H27F2NO6 MolecularWeight: 439.449686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC(F)F)OC2CCCC2

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC(F)F)OC2CCCC2

InChI

InChI=1S/C22H27F2NO6/c1-28-19(26)9-11-22(14-25,12-10-20(27)29-2)15-7-8-17(31-21(23)24)18(13-15)30-16-5-3-4-6-16/h7-8,13,16,21H,3-6,9-12H2,1-2H3