(3,5-dicyano-1-adamantyl) 2-fluoranyl-2-methyl-butanoate

Systemtic Name: (3,5-dicyano-1-adamantyl) 2-fluoranyl-2-methyl-butanoate Openeye Name: (3,5-dicyano-1-adamantyl) 2-fluoro-2-methyl-butanoate CAS Name: 2-fluoro-2-methylbutanoic acid (3,5-dicyano-1-adamantyl) ester IUPAC Name: (3,5-dicyano-1-adamantyl) 2-fluoro-2-methylbutanoate Traditional Name: 2-fluoro-2-methyl-butyric acid (3,5-dicyano-1-adamantyl) ester Formula: C17H21FN2O2 MolecularWeight: 304.359243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OC12CC3CC(C1)(CC(C3)(C2)C#N)C#N)F

Isomeric SMILES

CCC(C)(C(=O)OC12CC3CC(C1)(CC(C3)(C2)C#N)C#N)F

InChI

InChI=1S/C17H21FN2O2/c1-3-14(2,18)13(21)22-17-6-12-4-15(8-17,10-19)7-16(5-12,9-17)11-20/h12H,3-9H2,1-2H3