(1-methyl-4-bicyclo[2.2.2]octanyl) 4-(4-pentylcyclohexyl)benzoate

Systemtic Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (1-methyl-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (1-methyl-4-bicyclo[2.2.2]octanyl) ester Formula: C27H40O2 MolecularWeight: 396.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC34CCC(CC3)(CC4)C

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC34CCC(CC3)(CC4)C

InChI

InChI=1S/C27H40O2/c1-3-4-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25(28)29-27-18-15-26(2,16-19-27)17-20-27/h11-14,21-22H,3-10,15-20H2,1-2H3