[6-octadecanoyloxy-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] octadecanoate

Systemtic Name: [6-octadecanoyloxy-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] octadecanoate Openeye Name: (9-benzyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate CAS Name: octadecanoic acid [6-(1-oxooctadecoxy)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] ester IUPAC Name: (9-benzyl-6-octadecanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) octadecanoate Traditional Name: stearic acid (9-benzyl-6-stearoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) ester Formula: C51H89NO4 MolecularWeight: 780.25666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C(CCC1N2CC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C(CCC1N2CC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H89NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-50(53)55-48-42-40-47-49(43-41-46(48)52(47)44-45-36-32-31-33-37-45)56-51(54)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,46-49H,3-30,34-35,38-44H2,1-2H3