2-[4-(4-octylphenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-octylphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-octylphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-octylphenyl)piperazino]acetic acid Formula: C20H32N2O2 MolecularWeight: 332.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)22-15-13-21(14-16-22)17-20(23)24/h9-12H,2-8,13-17H2,1H3,(H,23,24)