[6-azanyl-4-methyl-4-(methylamino)-2-[(Z)-octadec-9-enoyl]oxy-5-oxidanyl-hexyl] (Z)-octadec-9-enoate

Systemtic Name: [6-azanyl-4-methyl-4-(methylamino)-2-[(Z)-octadec-9-enoyl]oxy-5-oxidanyl-hexyl] (Z)-octadec-9-enoate Openeye Name: [6-amino-5-hydroxy-4-methyl-4-(methylamino)-2-[(Z)-octadec-9-enoyl]oxy-hexyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [6-amino-5-hydroxy-4-methyl-4-(methylamino)-2-[(Z)-1-oxooctadec-9-enoxy]hexyl] ester IUPAC Name: [6-amino-5-hydroxy-4-methyl-4-(methylamino)-2-[(Z)-octadec-9-enoyl]oxyhexyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [6-amino-5-hydroxy-4-methyl-4-(methylamino)-2-[(Z)-octadec-9-enoyl]oxy-hexyl] ester Formula: C44H84N2O5 MolecularWeight: 721.14816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(C)(C(CN)O)NC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC(C)(C(CN)O)NC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H84N2O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(48)50-39-40(37-44(3,46-4)41(47)38-45)51-43(49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,40-41,46-47H,5-18,23-39,45H2,1-4H3/b21-19-,22-20-