tert-butyl (2S)-2-butyl-5-oxidanylidene-4-[3-(trifluoromethyloxy)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-butyl-5-oxidanylidene-4-[3-(trifluoromethyloxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxylate CAS Name: (2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxylate Traditional Name: (2S)-2-butyl-5-keto-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27F3N2O4 MolecularWeight: 416.43459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C20H27F3N2O4/c1-5-6-8-15-12-24(14-9-7-10-16(11-14)28-20(21,22)23)17(26)13-25(15)18(27)29-19(2,3)4/h7,9-11,15H,5-6,8,12-13H2,1-4H3/t15-/m0/s1