1-adamantylmethyl (Z)-4-(2-methylbutan-2-yloxy)-2-(trifluoromethyl)but-2-enoate

Systemtic Name: 1-adamantylmethyl (Z)-4-(2-methylbutan-2-yloxy)-2-(trifluoromethyl)but-2-enoate Openeye Name: 1-adamantylmethyl (Z)-4-(1,1-dimethylpropoxy)-2-(trifluoromethyl)but-2-enoate CAS Name: (Z)-4-(2-methylbutan-2-yloxy)-2-(trifluoromethyl)-2-butenoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl (Z)-4-(2-methylbutan-2-yloxy)-2-(trifluoromethyl)but-2-enoate Traditional Name: (Z)-4-tert-amyloxy-2-(trifluoromethyl)but-2-enoic acid 1-adamantylmethyl ester Formula: C21H31F3O3 MolecularWeight: 388.46425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OCC=C(C(=O)OCC12CC3CC(C1)CC(C3)C2)C(F)(F)F

Isomeric SMILES

CCC(C)(C)OC/C=C(/C(=O)OCC12CC3CC(C1)CC(C3)C2)\C(F)(F)F

InChI

InChI=1S/C21H31F3O3/c1-4-19(2,3)27-6-5-17(21(22,23)24)18(25)26-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h5,14-16H,4,6-13H2,1-3H3/b17-5-