[2-(ethoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; propan-1-amine

Systemtic Name: [2-(ethoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; propan-1-amine Openeye Name: [2-(ethoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; propan-1-amine CAS Name: (E)-9-octadecenoic acid [2-(ethoxycarbonylamino)-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester; 1-propanamine IUPAC Name: [2-(ethoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate; propan-1-amine Traditional Name: (E)-octadec-9-enoic acid [2-(carbethoxyamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester; propylamine Formula: C45H86N2O6 MolecularWeight: 751.17414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)NC(=O)OCC.CCCN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(NC(=O)OCC)COC(=O)CCCCCCC/C=C/CCCCCCCC.CCCN

InChI

InChI=1S/C42H77NO6.C3H9N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)48-37-39(43-42(46)47-6-3)38-49-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-3-4/h19-22,39H,4-18,23-38H2,1-3H3,(H,43,46);2-4H2,1H3/b21-19+,22-20+;