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

Systemtic Name: 2-[3-(phenylmethyl)piperazin-1-yl]hexanoic acid Openeye Name: 2-(3-benzylpiperazin-1-yl)hexanoic acid CAS Name: 2-[3-(phenylmethyl)-1-piperazinyl]hexanoic acid IUPAC Name: 2-(3-benzylpiperazin-1-yl)hexanoic acid Traditional Name: 2-(3-benzylpiperazino)hexanoic acid Formula: C17H26N2O2 MolecularWeight: 290.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1CCNC(C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)N1CCNC(C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O2/c1-2-3-9-16(17(20)21)19-11-10-18-15(13-19)12-14-7-5-4-6-8-14/h4-8,15-16,18H,2-3,9-13H2,1H3,(H,20,21)