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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H24F3NO3/c22-21(23,24)17-3-1-2-13(7-17)8-19(27)28-12-18(26)25-20-9-14-4-15(10-20)6-16(5-14)11-20/h1-3,7,14-16H,4-6,8-12H2,(H,25,26)