dipropyl 4-cyano-4-(2-fluoranyl-3,4-dimethoxy-phenyl)heptanedioate

Systemtic Name: dipropyl 4-cyano-4-(2-fluoranyl-3,4-dimethoxy-phenyl)heptanedioate Openeye Name: dipropyl 4-cyano-4-(2-fluoro-3,4-dimethoxy-phenyl)heptanedioate CAS Name: 4-cyano-4-(2-fluoro-3,4-dimethoxyphenyl)heptanedioic acid dipropyl ester IUPAC Name: dipropyl 4-cyano-4-(2-fluoro-3,4-dimethoxyphenyl)heptanedioate Traditional Name: 4-cyano-4-(2-fluoro-3,4-dimethoxy-phenyl)pimelic acid dipropyl ester Formula: C22H30FNO6 MolecularWeight: 423.475103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FNO6/c1-5-13-29-18(25)9-11-22(15-24,12-10-19(26)30-14-6-2)16-7-8-17(27-3)21(28-4)20(16)23/h7-8H,5-6,9-14H2,1-4H3