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

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-(4-methylpiperazin-1-yl)butanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-(4-methylpiperazin-1-yl)butanoate CAS Name: 4-(4-methyl-1-piperazinyl)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-(4-methylpiperazin-1-yl)butanoate Traditional Name: 4-(4-methylpiperazino)butyric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C48H92N2O4 MolecularWeight: 761.25508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=O)CCCN1CCN(CC1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=O)CCCN1CCN(CC1)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C48H92N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43-52-45-47(54-48(51)37-36-38-50-41-39-49(3)40-42-50)46-53-44-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,47H,4-17,22-46H2,1-3H3/b20-18+,21-19+