3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-cyano-2-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-cyano-2-pyridyl)piperazino]propionic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=C(C=CC=N2)C#N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C13H16N4O2/c14-10-11-2-1-4-15-13(11)17-8-6-16(7-9-17)5-3-12(18)19/h1-2,4H,3,5-9H2,(H,18,19)