1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[2-hydroxyethyl(methyl)amino]butanoate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[2-hydroxyethyl(methyl)amino]butanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-[2-hydroxyethyl(methyl)amino]butanoate CAS Name: 4-[2-hydroxyethyl(methyl)amino]butanoic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[2-hydroxyethyl(methyl)amino]butanoate Traditional Name: 4-[2-hydroxyethyl(methyl)amino]butyric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C46H89NO5 MolecularWeight: 736.20256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=O)CCCN(C)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=O)CCCN(CCO)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H89NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41-50-43-45(52-46(49)37-36-38-47(3)39-40-48)44-51-42-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,45,48H,4-17,22-44H2,1-3H3/b20-18+,21-19+