[3-(1-hydroxyethylamino)-4-[(E)-octadec-9-enoyl]oxy-pentan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [3-(1-hydroxyethylamino)-4-[(E)-octadec-9-enoyl]oxy-pentan-2-yl] (E)-octadec-9-enoate Openeye Name: [2-(1-hydroxyethylamino)-1-methyl-3-[(E)-octadec-9-enoyl]oxy-butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-(1-hydroxyethylamino)-4-[(E)-1-oxooctadec-9-enoxy]pentan-2-yl] ester IUPAC Name: [3-(1-hydroxyethylamino)-4-[(E)-octadec-9-enoyl]oxypentan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(1-hydroxyethylamino)-1-methyl-3-[(E)-octadec-9-enoyl]oxy-butyl] ester Formula: C43H81NO5 MolecularWeight: 692.10694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCC=CCCCCCCCC)NC(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(NC(O)C)C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C

InChI

InChI=1S/C43H81NO5/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)48-38(3)43(44-40(5)45)39(4)49-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,38-40,43-45H,6-19,24-37H2,1-5H3/b22-20+,23-21+