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

Systemtic Name: tert-butyl 2-(2-hydroxyethyl)-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-hydroxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 2-(2-hydroxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-hydroxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 2-(2-hydroxyethyl)-5-keto-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCO)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCO)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-11-15(25)22(10-14(23)7-8-24)13-6-4-5-12(9-13)18(19,20)21/h4-6,9,14,24H,7-8,10-11H2,1-3H3