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

Systemtic Name: 3-[2-(phenylmethyl)piperazin-1-yl]propanoic acid Openeye Name: 3-(2-benzylpiperazin-1-yl)propanoic acid CAS Name: 3-[2-(phenylmethyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-(2-benzylpiperazin-1-yl)propanoic acid Traditional Name: 3-(2-benzylpiperazino)propionic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1CN(C(CN1)CC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C14H20N2O2/c17-14(18)6-8-16-9-7-15-11-13(16)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,17,18)