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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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