1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 3-(dimethylamino)propanoate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 3-(dimethylamino)propanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C44H85NO4 MolecularWeight: 692.15

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=O)CCN(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=O)CCN(C)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H85NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-47-41-43(49-44(46)37-38-45(3)4)42-48-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,43H,5-18,23-42H2,1-4H3/b21-19+,22-20+