[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetate CAS Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H24F3N3O5 MolecularWeight: 455.42757

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CN4C=C(C=CC4=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CN4C=C(C=CC4=O)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O5/c22-21(23,24)15-1-2-17(29)27(9-15)10-18(30)32-11-16(28)25-19(31)26-20-6-12-3-13(7-20)5-14(4-12)8-20/h1-2,9,12-14H,3-8,10-11H2,(H2,25,26,28,31)