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

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[2-diethylaminoethyl(methyl)amino]butanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-[2-diethylaminoethyl(methyl)amino]butanoate CAS Name: 4-[2-diethylaminoethyl(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-diethylaminoethyl(methyl)amino]butanoate Traditional Name: 4-[2-diethylaminoethyl(methyl)amino]butyric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C50H98N2O4 MolecularWeight: 791.32412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H98N2O4/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45-54-47-49(56-50(53)41-40-42-51(5)43-44-52(8-3)9-4)48-55-46-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2/h22-25,49H,6-21,26-48H2,1-5H3/b24-22+,25-23+