3-[4-[(5-cyano-2-fluoranyl-phenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-cyano-2-fluoranyl-phenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-cyano-2-fluoro-phenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-cyano-2-fluorophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-cyano-2-fluoro-benzyl)piperazino]propionic acid Formula: C15H18FN3O2 MolecularWeight: 291.320723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C15H18FN3O2/c16-14-2-1-12(10-17)9-13(14)11-19-7-5-18(6-8-19)4-3-15(20)21/h1-2,9H,3-8,11H2,(H,20,21)