(1-phenyl-4-bicyclo[2.2.2]octanyl) 4-hexylcyclohexane-1-carboxylate

Systemtic Name: (1-phenyl-4-bicyclo[2.2.2]octanyl) 4-hexylcyclohexane-1-carboxylate Openeye Name: (1-phenyl-4-bicyclo[2.2.2]octanyl) 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid (1-phenyl-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-phenyl-4-bicyclo[2.2.2]octanyl) 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid (1-phenyl-4-bicyclo[2.2.2]octanyl) ester Formula: C27H40O2 MolecularWeight: 396.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC23CCC(CC2)(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC23CCC(CC2)(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H40O2/c1-2-3-4-6-9-22-12-14-23(15-13-22)25(28)29-27-19-16-26(17-20-27,18-21-27)24-10-7-5-8-11-24/h5,7-8,10-11,22-23H,2-4,6,9,12-21H2,1H3