[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C16H19F3N2O4 MolecularWeight: 360.32827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC(F)(F)F)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCC(F)(F)F)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19F3N2O4/c1-10(2)13(21-14(23)11-6-4-3-5-7-11)15(24)25-8-12(22)20-9-16(17,18)19/h3-7,10,13H,8-9H2,1-2H3,(H,20,22)(H,21,23)