[2-hexadecoxy-3-[(E)-octadec-9-enoxy]propyl] 4-(dimethylamino)butanoate

Systemtic Name: [2-hexadecoxy-3-[(E)-octadec-9-enoxy]propyl] 4-(dimethylamino)butanoate Openeye Name: [2-hexadecoxy-3-[(E)-octadec-9-enoxy]propyl] 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [2-hexadecoxy-3-[(E)-octadec-9-enoxy]propyl] ester IUPAC Name: [2-hexadecoxy-3-[(E)-octadec-9-enoxy]propyl] 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [2-cetyloxy-3-[(E)-octadec-9-enoxy]propyl] ester Formula: C43H85NO4 MolecularWeight: 680.1393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COCCCCCCCCC=CCCCCCCCC)COC(=O)CCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COCCCCCCCC/C=C/CCCCCCCC)COC(=O)CCCN(C)C

InChI

InChI=1S/C43H85NO4/c1-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-38-46-40-42(41-48-43(45)36-35-37-44(3)4)47-39-34-32-30-28-26-24-20-18-16-14-12-10-8-6-2/h19,21,42H,5-18,20,22-41H2,1-4H3/b21-19+