[2-hexadecanoyloxy-3-(pyridin-4-ylamino)propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-(pyridin-4-ylamino)propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-(4-pyridylamino)propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-(pyridin-4-ylamino)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-(pyridin-4-ylamino)propyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-(4-pyridylamino)propyl] ester Formula: C40H72N2O4 MolecularWeight: 645.01068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CNC1=CC=NC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CNC1=CC=NC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H72N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(43)45-36-38(35-42-37-31-33-41-34-32-37)46-40(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,38H,3-30,35-36H2,1-2H3,(H,41,42)