[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26F3N3O5 MolecularWeight: 457.44345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O5/c1-20(2,3)26-19(31)25-16(28)12-32-18(30)14-8-10-27(11-9-14)17(29)13-4-6-15(7-5-13)21(22,23)24/h4-7,14H,8-12H2,1-3H3,(H2,25,26,28,31)