(3-cyano-5-oxidanyl-1-adamantyl) 3-fluoranyl-2-methyl-butanoate

Systemtic Name: (3-cyano-5-oxidanyl-1-adamantyl) 3-fluoranyl-2-methyl-butanoate Openeye Name: (3-cyano-5-hydroxy-1-adamantyl) 3-fluoro-2-methyl-butanoate CAS Name: 3-fluoro-2-methylbutanoic acid (3-cyano-5-hydroxy-1-adamantyl) ester IUPAC Name: (3-cyano-5-hydroxy-1-adamantyl) 3-fluoro-2-methylbutanoate Traditional Name: 3-fluoro-2-methyl-butyric acid (3-cyano-5-hydroxy-1-adamantyl) ester Formula: C16H22FNO3 MolecularWeight: 295.349183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FNO3/c1-10(11(2)17)13(19)21-16-5-12-3-14(7-16,9-18)6-15(20,4-12)8-16/h10-12,20H,3-8H2,1-2H3