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

Systemtic Name: (3-cyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate Openeye Name: (3-cyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate CAS Name: 2-methyl-2-(trifluoromethyl)butanoic acid (3-cyano-1-adamantyl) ester IUPAC Name: (3-cyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate Traditional Name: 2-methyl-2-(trifluoromethyl)butyric acid (3-cyano-1-adamantyl) ester Formula: C17H22F3NO2 MolecularWeight: 329.35729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO2/c1-3-14(2,17(18,19)20)13(22)23-16-7-11-4-12(8-16)6-15(5-11,9-16)10-21/h11-12H,3-9H2,1-2H3