bis[(5-fluoranylpyridin-3-yl)methyl] octanedioate

Systemtic Name: bis[(5-fluoranylpyridin-3-yl)methyl] octanedioate Openeye Name: bis[(5-fluoro-3-pyridyl)methyl] octanedioate CAS Name: octanedioic acid bis[(5-fluoro-3-pyridinyl)methyl] ester IUPAC Name: bis[(5-fluoropyridin-3-yl)methyl] octanedioate Traditional Name: suberic acid bis[(5-fluoro-3-pyridyl)methyl] ester Formula: C20H22F2N2O4 MolecularWeight: 392.396486

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1F)COC(=O)CCCCCCC(=O)OCC2=CC(=CN=C2)F

Isomeric SMILES

C1=C(C=NC=C1F)COC(=O)CCCCCCC(=O)OCC2=CC(=CN=C2)F

InChI

InChI=1S/C20H22F2N2O4/c21-17-7-15(9-23-11-17)13-27-19(25)5-3-1-2-4-6-20(26)28-14-16-8-18(22)12-24-10-16/h7-12H,1-6,13-14H2