[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(trifluoromethyl)-1-benzimidazolyl]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4C5=CC=CC=C5N=C4C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4C5=CC=CC=C5N=C4C(F)(F)F

InChI

InChI=1S/C22H24F3N3O3/c23-22(24,25)20-26-16-3-1-2-4-17(16)28(20)11-19(30)31-12-18(29)27-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,27,29)