[4-(aminomethyl)-5-octadecanoyloxy-4-oxidanyl-hexan-2-yl] octadecanoate

Systemtic Name: [4-(aminomethyl)-5-octadecanoyloxy-4-oxidanyl-hexan-2-yl] octadecanoate Openeye Name: [3-(aminomethyl)-3-hydroxy-1-methyl-4-octadecanoyloxy-pentyl] octadecanoate CAS Name: octadecanoic acid [4-(aminomethyl)-4-hydroxy-5-(1-oxooctadecoxy)hexan-2-yl] ester IUPAC Name: [4-(aminomethyl)-4-hydroxy-5-octadecanoyloxyhexan-2-yl] octadecanoate Traditional Name: stearic acid [3-(aminomethyl)-3-hydroxy-1-methyl-4-stearoyloxy-pentyl] ester Formula: C43H85NO5 MolecularWeight: 696.1387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)CC(CN)(C(C)OC(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)CC(CN)(C(C)OC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C43H85NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(45)48-39(3)37-43(47,38-44)40(4)49-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40,47H,5-38,44H2,1-4H3