(E)-3-[2-(2-hexadecanoyloxy-3-piperidin-1-yl-propyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-hexadecanoyloxy-3-piperidin-1-yl-propyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-hexadecanoyloxy-3-(1-piperidyl)propyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(1-oxohexadecoxy)-3-(1-piperidinyl)propyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-hexadecanoyloxy-3-piperidin-1-ylpropyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-hexadecanoyloxy-3-piperidino-propyl)phenyl]acrylic acid Formula: C33H53NO4 MolecularWeight: 527.77822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CC1=CC=CC=C1C=CC(=O)O)CN2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CC1=CC=CC=C1/C=C/C(=O)O)CN2CCCCC2

InChI

InChI=1S/C33H53NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-33(37)38-31(28-34-25-18-14-19-26-34)27-30-21-17-16-20-29(30)23-24-32(35)36/h16-17,20-21,23-24,31H,2-15,18-19,22,25-28H2,1H3,(H,35,36)/b24-23+