2-[4-(4-hexadecylpiperazin-1-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-hexadecylpiperazin-1-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-hexadecylpiperazin-1-yl)phenyl]acetic acid CAS Name: 2-[4-(4-hexadecyl-1-piperazinyl)phenyl]acetic acid IUPAC Name: 2-[4-(4-hexadecylpiperazin-1-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-cetylpiperazino)phenyl]acetic acid Formula: C28H48N2O2 MolecularWeight: 444.69292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-21-23-30(24-22-29)27-18-16-26(17-19-27)25-28(31)32/h16-19H,2-15,20-25H2,1H3,(H,31,32)