[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C20H22F3NO3 MolecularWeight: 381.38879

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H22F3NO3/c21-20(22,23)16-3-1-2-13(9-16)19(26)27-10-17(25)24-18-14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15,18H,4-8,10H2,(H,24,25)