3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionic acid Formula: C13H16F3N3O2 MolecularWeight: 303.28025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O2/c14-13(15,16)10-1-2-11(17-9-10)19-7-5-18(6-8-19)4-3-12(20)21/h1-2,9H,3-8H2,(H,20,21)