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

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[di(propan-2-yl)amino]butanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-(diisopropylamino)butanoate CAS Name: 4-[di(propan-2-yl)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-[di(propan-2-yl)amino]butanoate Traditional Name: 4-(diisopropylamino)butyric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C49H95NO4 MolecularWeight: 762.2829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H95NO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-52-44-48(54-49(51)40-39-41-50(46(3)4)47(5)6)45-53-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h21-24,46-48H,7-20,25-45H2,1-6H3/b23-21+,24-22+