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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[3-(trifluoromethyl)phenoxy]ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate CAS Name: 2-[3-(trifluoromethyl)phenoxy]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate Traditional Name: 2-[3-(trifluoromethyl)phenoxy]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H26F3NO4 MolecularWeight: 425.44135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3NO4/c23-22(24,25)17-2-1-3-18(7-17)29-12-20(28)30-11-19(27)26-13-21-8-14-4-15(9-21)6-16(5-14)10-21/h1-3,7,14-16H,4-6,8-13H2,(H,26,27)