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1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine; ethanoic acid

1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine; ethanoic acid

Systemtic Name:1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine; ethanoic acid
Openeye Name:acetic acid; 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)-2-pyridyl]piperazine
CAS Name:acetic acid; 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
IUPAC Name:acetic acid; 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
Traditional Name:acetic acid; 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)-2-pyridyl]piperazine
Formula: C21H24F3N3O5
MolecularWeight: 455.42757
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC4=C(C=C3)OCCO4


Isomeric SMILES

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CC4=C(C=C3)OCCO4


InChI

InChI=1S/C19H20F3N3O3.C2H4O2/c20-19(21,22)14-2-4-17(25-7-5-23-6-8-25)24-18(14)28-12-13-1-3-15-16(11-13)27-10-9-26-15;1-2(3)4/h1-4,11,23H,5-10,12H2;1H3,(H,3,4)


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