dipropan-2-yl 4-[3,4-bis(fluoranyl)phenyl]-4-cyano-heptanedioate

Systemtic Name: dipropan-2-yl 4-[3,4-bis(fluoranyl)phenyl]-4-cyano-heptanedioate Openeye Name: diisopropyl 4-cyano-4-(3,4-difluorophenyl)heptanedioate CAS Name: 4-cyano-4-(3,4-difluorophenyl)heptanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-cyano-4-(3,4-difluorophenyl)heptanedioate Traditional Name: 4-cyano-4-(3,4-difluorophenyl)pimelic acid diisopropyl ester Formula: C20H25F2NO4 MolecularWeight: 381.413606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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