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

Systemtic Name: (3-cyano-5-oxidanyl-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate Openeye Name: (3-cyano-5-hydroxy-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate CAS Name: 2-methyl-2-(trifluoromethyl)butanoic acid (3-cyano-5-hydroxy-1-adamantyl) ester IUPAC Name: (3-cyano-5-hydroxy-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate Traditional Name: 2-methyl-2-(trifluoromethyl)butyric acid (3-cyano-5-hydroxy-1-adamantyl) ester Formula: C17H22F3NO3 MolecularWeight: 345.35669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO3/c1-3-13(2,17(18,19)20)12(22)24-16-6-11-4-14(8-16,10-21)7-15(23,5-11)9-16/h11,23H,3-9H2,1-2H3