[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenoxy]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenoxy]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate CAS Name: 2-[3-(trifluoromethyl)phenoxy]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate Traditional Name: 2-[3-(trifluoromethyl)phenoxy]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H24F3NO4 MolecularWeight: 411.41477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC=CC(=C4)C(F)(F)F

InChI

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