(4-octoxyphenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: (4-octoxyphenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (4-octoxyphenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-pentyl-4-bicyclo[2.2.2]octanecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-amylbicyclo[2.2.2]octane-4-carboxylic acid (4-octoxyphenyl) ester Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCCCC

InChI

InChI=1S/C28H44O3/c1-3-5-7-8-9-11-23-30-24-12-14-25(15-13-24)31-26(29)28-20-17-27(18-21-28,19-22-28)16-10-6-4-2/h12-15H,3-11,16-23H2,1-2H3