[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H24F3NO4 MolecularWeight: 411.41477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H24F3NO4/c22-21(23,24)29-17-3-1-16(2-4-17)19(27)28-11-18(26)25-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,25,26)