1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 5-(dimethylamino)pentanoate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 5-(dimethylamino)pentanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 5-(dimethylamino)pentanoate CAS Name: 5-(dimethylamino)pentanoic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 5-(dimethylamino)pentanoate Traditional Name: 5-(dimethylamino)valeric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C46H89NO4 MolecularWeight: 720.20316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H89NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-49-43-45(51-46(48)39-35-36-40-47(3)4)44-50-42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,45H,5-18,23-44H2,1-4H3/b21-19+,22-20+