[2-(1-azanylhexan-2-ylcarbamoyloxy)-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate

Systemtic Name: [2-(1-azanylhexan-2-ylcarbamoyloxy)-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate Openeye Name: [2-[1-(aminomethyl)pentylcarbamoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-[(1-aminohexan-2-ylamino)-oxomethoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(1-aminohexan-2-ylcarbamoyloxy)-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-[1-(aminomethyl)pentylcarbamoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C46H86N2O6 MolecularWeight: 763.18484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NC(CCCC)CN

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)NC(CN)CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H86N2O6/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-44(49)52-40-43(54-46(51)48-42(39-47)36-9-6-3)41-53-45(50)38-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20-23,42-43H,4-19,24-41,47H2,1-3H3,(H,48,51)/b22-20-,23-21-