(2-fluoranyl-4-pentyl-phenyl) 4-heptylcyclohexane-1-carboxylate

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 4-heptylcyclohexane-1-carboxylate Openeye Name: (2-fluoro-4-pentyl-phenyl) 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid (4-amyl-2-fluoro-phenyl) ester Formula: C25H39FO2 MolecularWeight: 390.574363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)CCCCC)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)CCCCC)F

InChI

InChI=1S/C25H39FO2/c1-3-5-7-8-10-11-20-13-16-22(17-14-20)25(27)28-24-18-15-21(19-23(24)26)12-9-6-4-2/h15,18-20,22H,3-14,16-17H2,1-2H3