(3-cyano-5-oxidanyl-1-adamantyl) 4,4,4-tris(fluoranyl)-2,3-dimethyl-butanoate

Systemtic Name: (3-cyano-5-oxidanyl-1-adamantyl) 4,4,4-tris(fluoranyl)-2,3-dimethyl-butanoate Openeye Name: (3-cyano-5-hydroxy-1-adamantyl) 4,4,4-trifluoro-2,3-dimethyl-butanoate CAS Name: 4,4,4-trifluoro-2,3-dimethylbutanoic acid (3-cyano-5-hydroxy-1-adamantyl) ester IUPAC Name: (3-cyano-5-hydroxy-1-adamantyl) 4,4,4-trifluoro-2,3-dimethylbutanoate Traditional Name: 4,4,4-trifluoro-2,3-dimethyl-butyric acid (3-cyano-5-hydroxy-1-adamantyl) ester Formula: C17H22F3NO3 MolecularWeight: 345.35669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO3/c1-10(11(2)17(18,19)20)13(22)24-16-5-12-3-14(7-16,9-21)6-15(23,4-12)8-16/h10-12,23H,3-8H2,1-2H3