[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H27F3N2O4 MolecularWeight: 500.50949

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C27H27F3N2O4/c28-27(29,30)20-7-5-19(6-8-20)21-3-1-2-4-22(21)24(34)36-15-23(33)31-25(35)32-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2,(H2,31,32,33,35)