[3-[2-(1H-imidazol-5-yl)ethylcarbamoyloxy]-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[2-(1H-imidazol-5-yl)ethylcarbamoyloxy]-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[2-(1H-imidazol-5-yl)ethylcarbamoyloxy]-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[2-(1H-imidazol-5-yl)ethylamino]-oxomethoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-(1H-imidazol-5-yl)ethylcarbamoyloxy]-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[2-(1H-imidazol-5-yl)ethylcarbamoyloxy]-2-stearoyloxy-propyl] ester Formula: C45H83N3O6 MolecularWeight: 762.15702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)NCCC1=CN=CN1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)NCCC1=CN=CN1)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H83N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(49)52-38-42(39-53-45(51)47-36-35-41-37-46-40-48-41)54-44(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40,42H,3-36,38-39H2,1-2H3,(H,46,48)(H,47,51)