[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H21F6NO3 MolecularWeight: 449.386759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F6NO3/c22-20(23,24)15-4-14(5-16(6-15)21(25,26)27)18(30)31-10-17(29)28-19-7-11-1-12(8-19)3-13(2-11)9-19/h4-6,11-13H,1-3,7-10H2,(H,28,29)