[1-hexadecoxy-3-[(E)-octadec-9-enoxy]propan-2-yl] 4-(dimethylamino)butanoate

Systemtic Name: [1-hexadecoxy-3-[(E)-octadec-9-enoxy]propan-2-yl] 4-(dimethylamino)butanoate Openeye Name: [1-(hexadecoxymethyl)-2-[(E)-octadec-9-enoxy]ethyl] 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [1-hexadecoxy-3-[(E)-octadec-9-enoxy]propan-2-yl] ester IUPAC Name: [1-hexadecoxy-3-[(E)-octadec-9-enoxy]propan-2-yl] 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [1-(cetyloxymethyl)-2-[(E)-octadec-9-enoxy]ethyl] ester Formula: C43H85NO4 MolecularWeight: 680.1393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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