(E)-3-[4-(4-hexadecylpiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-hexadecylpiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-hexadecylpiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(4-hexadecyl-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-hexadecylpiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(4-cetylpiperazino)phenyl]acrylic acid Formula: C29H48N2O2 MolecularWeight: 456.70362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O2/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/h16-21H,2-15,22-26H2,1H3,(H,32,33)/b21-18+