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(3,5-dicyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate

(3,5-dicyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate

Systemtic Name:(3,5-dicyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate
Openeye Name:(3,5-dicyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate
CAS Name:2-methyl-2-(trifluoromethyl)butanoic acid (3,5-dicyano-1-adamantyl) ester
IUPAC Name:(3,5-dicyano-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate
Traditional Name:2-methyl-2-(trifluoromethyl)butyric acid (3,5-dicyano-1-adamantyl) ester
Formula: C18H21F3N2O2
MolecularWeight: 354.36675
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H21F3N2O2/c1-3-14(2,18(19,20)21)13(24)25-17-6-12-4-15(8-17,10-22)7-16(5-12,9-17)11-23/h12H,3-9H2,1-2H3


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