dipropyl 4-[2,4-bis(fluoranyl)phenyl]-4-cyano-heptanedioate

Systemtic Name: dipropyl 4-[2,4-bis(fluoranyl)phenyl]-4-cyano-heptanedioate Openeye Name: dipropyl 4-cyano-4-(2,4-difluorophenyl)heptanedioate CAS Name: 4-cyano-4-(2,4-difluorophenyl)heptanedioic acid dipropyl ester IUPAC Name: dipropyl 4-cyano-4-(2,4-difluorophenyl)heptanedioate Traditional Name: 4-cyano-4-(2,4-difluorophenyl)pimelic acid dipropyl ester Formula: C20H25F2NO4 MolecularWeight: 381.413606

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(CCC(=O)OCCC)(C#N)C1=C(C=C(C=C1)F)F

Isomeric SMILES

CCCOC(=O)CCC(CCC(=O)OCCC)(C#N)C1=C(C=C(C=C1)F)F

InChI

InChI=1S/C20H25F2NO4/c1-3-11-26-18(24)7-9-20(14-23,10-8-19(25)27-12-4-2)16-6-5-15(21)13-17(16)22/h5-6,13H,3-4,7-12H2,1-2H3