1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl 4-(dimethylamino)butanoate

Systemtic Name: 1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl 4-(dimethylamino)butanoate Openeye Name: [2-[(9E,12E)-octadeca-9,12-dienoxy]-1-[[(9E,12E)-octadeca-9,12-dienoxy]methyl]ethyl] 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid 1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-2-yl 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [2-[(9E,12E)-octadeca-9,12-dienoxy]-1-[[(9E,12E)-octadeca-9,12-dienoxy]methyl]ethyl] ester Formula: C45H83NO4 MolecularWeight: 702.14482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(COCCCCCCCCC=CCC=CCCCCC)OC(=O)CCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C45H83NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-48-42-44(50-45(47)38-37-39-46(3)4)43-49-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,44H,5-12,17-18,23-43H2,1-4H3/b15-13+,16-14+,21-19+,22-20+