3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoic acid Openeye Name: 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoic acid CAS Name: 3-[4-(4-hexadecyl-1-piperazinyl)phenyl]propanoic acid IUPAC Name: 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoic acid Traditional Name: 3-[4-(4-cetylpiperazino)phenyl]propionic acid Formula: C29H50N2O2 MolecularWeight: 458.7195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C29H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-23-25-31(26-24-30)28-19-16-27(17-20-28)18-21-29(32)33/h16-17,19-20H,2-15,18,21-26H2,1H3,(H,32,33)