(6-ethoxy-6-oxidanylidene-hexyl) 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl) 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: (6-ethoxy-6-oxo-hexyl) 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid (6-ethoxy-6-oxohexyl) ester IUPAC Name: (6-ethoxy-6-oxohexyl) 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid (6-ethoxy-6-keto-hexyl) ester Formula: C19H26F3N3O4 MolecularWeight: 417.42265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCCCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O4/c1-2-28-17(26)6-4-3-5-13-29-18(27)25-11-9-24(10-12-25)16-8-7-15(14-23-16)19(20,21)22/h7-8,14H,2-6,9-13H2,1H3