(phenylmethyl) 4-[2,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(2,4,4-trifluoro-3-oxo-butanoyl)piperazine-1-carboxylate CAS Name: 4-(2,4,4-trifluoro-1,3-dioxobutyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,4,4-trifluoro-3-oxobutanoyl)piperazine-1-carboxylate Traditional Name: 4-(2,4,4-trifluoro-3-keto-butanoyl)piperazine-1-carboxylic acid benzyl ester Formula: C16H17F3N2O4 MolecularWeight: 358.31239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(C(=O)C(F)F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)C(C(=O)C(F)F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17F3N2O4/c17-12(13(22)14(18)19)15(23)20-6-8-21(9-7-20)16(24)25-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2