[4-[(2-azanyl-2-phenyl-ethanoyl)oxymethyl]-3,5-bis(oxidanylidene)piperazin-1-yl] 2,2,2-tris(fluoranyl)ethanoate; ethane

Systemtic Name: [4-[(2-azanyl-2-phenyl-ethanoyl)oxymethyl]-3,5-bis(oxidanylidene)piperazin-1-yl] 2,2,2-tris(fluoranyl)ethanoate; ethane Openeye Name: [4-[(2-amino-2-phenyl-acetyl)oxymethyl]-3,5-dioxo-piperazin-1-yl] 2,2,2-trifluoroacetate; ethane CAS Name: ethane; 2,2,2-trifluoroacetic acid [4-[(2-amino-1-oxo-2-phenylethoxy)methyl]-3,5-dioxo-1-piperazinyl] ester IUPAC Name: [4-[(2-amino-2-phenylacetyl)oxymethyl]-3,5-dioxopiperazin-1-yl] 2,2,2-trifluoroacetate; ethane Traditional Name: ethane; 2,2,2-trifluoroacetic acid [4-[(2-amino-2-phenyl-acetyl)oxymethyl]-3,5-diketo-piperazino] ester Formula: C17H20F3N3O6 MolecularWeight: 419.35241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.C1C(=O)N(C(=O)CN1OC(=O)C(F)(F)F)COC(=O)C(C2=CC=CC=C2)N

Isomeric SMILES

CC.C1C(=O)N(C(=O)CN1OC(=O)C(F)(F)F)COC(=O)C(C2=CC=CC=C2)N

InChI

InChI=1S/C15H14F3N3O6.C2H6/c16-15(17,18)14(25)27-20-6-10(22)21(11(23)7-20)8-26-13(24)12(19)9-4-2-1-3-5-9;1-2/h1-5,12H,6-8,19H2;1-2H3