methyl 3-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]oxyadamantane-1-carboxylate

Systemtic Name: methyl 3-[2,3,5,6-tetrakis(fluoranyl)pyridin-4-yl]oxyadamantane-1-carboxylate Openeye Name: methyl 3-[(2,3,5,6-tetrafluoro-4-pyridyl)oxy]adamantane-1-carboxylate CAS Name: 3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,3,5,6-tetrafluoropyridin-4-yl)oxyadamantane-1-carboxylate Traditional Name: 3-[(2,3,5,6-tetrafluoro-4-pyridyl)oxy]adamantane-1-carboxylic acid methyl ester Formula: C17H17F4NO3 MolecularWeight: 359.315393

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)OC4=C(C(=NC(=C4F)F)F)F

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)OC4=C(C(=NC(=C4F)F)F)F

InChI

InChI=1S/C17H17F4NO3/c1-24-15(23)16-3-8-2-9(4-16)6-17(5-8,7-16)25-12-10(18)13(20)22-14(21)11(12)19/h8-9H,2-7H2,1H3