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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H26F3NO3 MolecularWeight: 409.44195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3NO3/c23-22(24,25)18-3-1-2-14(7-18)8-20(28)29-12-19(27)26-13-21-9-15-4-16(10-21)6-17(5-15)11-21/h1-3,7,15-17H,4-6,8-13H2,(H,26,27)