[2-aminocarbonyloxy-5-(4-ethylpiperazin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate

Systemtic Name: [2-aminocarbonyloxy-5-(4-ethylpiperazin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate Openeye Name: [2-carbamoyloxy-5-(4-ethylpiperazin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-carbamoyloxy-5-(4-ethyl-1-piperazinyl)-3-[(E)-1-oxooctadec-9-enoxy]pentyl] ester IUPAC Name: [2-carbamoyloxy-5-(4-ethylpiperazin-1-yl)-3-[(E)-octadec-9-enoyl]oxypentyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-carbamoyloxy-5-(4-ethylpiperazino)-3-[(E)-octadec-9-enoyl]oxy-pentyl] ester Formula: C48H89N3O6 MolecularWeight: 804.23676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C(CCN1CCN(CC1)CC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C(CCN1CCN(CC1)CC)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)N

InChI

InChI=1S/C48H89N3O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46(52)55-43-45(57-48(49)54)44(37-38-51-41-39-50(6-3)40-42-51)56-47(53)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,44-45H,4-18,23-43H2,1-3H3,(H2,49,54)/b21-19+,22-20+