3-[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-cyano-4,6-dimethyl-2-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-cyano-4,6-dimethylpyridin-2-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-cyano-4,6-dimethyl-2-pyridyl)piperazino]propionic acid Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCN(CC2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCN(CC2)CCC(=O)O)C

InChI

InChI=1S/C15H20N4O2/c1-11-9-12(2)17-15(13(11)10-16)19-7-5-18(6-8-19)4-3-14(20)21/h9H,3-8H2,1-2H3,(H,20,21)