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

Systemtic Name: bis[(5-fluoranylpyridin-3-yl)methyl] hexanedioate Openeye Name: bis[(5-fluoro-3-pyridyl)methyl] hexanedioate CAS Name: hexanedioic acid bis[(5-fluoro-3-pyridinyl)methyl] ester IUPAC Name: bis[(5-fluoropyridin-3-yl)methyl] hexanedioate Traditional Name: adipic acid bis[(5-fluoro-3-pyridyl)methyl] ester Formula: C18H18F2N2O4 MolecularWeight: 364.343326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O4/c19-15-5-13(7-21-9-15)11-25-17(23)3-1-2-4-18(24)26-12-14-6-16(20)10-22-8-14/h5-10H,1-4,11-12H2