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

Systemtic Name: (5-cyano-2-methyl-1-adamantyl) 4,4,4-tris(fluoranyl)-2,3-dimethyl-butanoate Openeye Name: (5-cyano-2-methyl-1-adamantyl) 4,4,4-trifluoro-2,3-dimethyl-butanoate CAS Name: 4,4,4-trifluoro-2,3-dimethylbutanoic acid (5-cyano-2-methyl-1-adamantyl) ester IUPAC Name: (5-cyano-2-methyl-1-adamantyl) 4,4,4-trifluoro-2,3-dimethylbutanoate Traditional Name: 4,4,4-trifluoro-2,3-dimethyl-butyric acid (5-cyano-2-methyl-1-adamantyl) ester Formula: C18H24F3NO2 MolecularWeight: 343.38387

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3CC(C2)(CC1(C3)OC(=O)C(C)C(C)C(F)(F)F)C#N

Isomeric SMILES

CC1C2CC3CC(C2)(CC1(C3)OC(=O)C(C)C(C)C(F)(F)F)C#N

InChI

InChI=1S/C18H24F3NO2/c1-10(11(2)18(19,20)21)15(23)24-17-6-13-4-14(12(17)3)7-16(5-13,8-17)9-22/h10-14H,4-8H2,1-3H3