3-[4-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-benzylpiperazino)ethyl]phenyl]propionic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)CCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)CCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c25-22(26)11-10-19-6-8-20(9-7-19)12-13-23-14-16-24(17-15-23)18-21-4-2-1-3-5-21/h1-9H,10-18H2,(H,25,26)