(2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) octadecanoate

Systemtic Name: (2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) octadecanoate Openeye Name: (2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) octadecanoate CAS Name: octadecanoic acid (2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) ester IUPAC Name: (2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) octadecanoate Traditional Name: stearic acid (2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-yl) ester Formula: C28H53NO2 MolecularWeight: 435.72592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CC2(CCC1C(N2)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CC2(CCC1C(N2)(C)C)C

InChI

InChI=1S/C28H53NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)31-25-23-28(4)22-21-24(25)27(2,3)29-28/h24-25,29H,5-23H2,1-4H3