(4-cyano-3-fluoranyl-phenyl) 1-(4-but-3-enylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 1-(4-but-3-enylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 1-(4-but-3-enylcyclohexyl)cyclohexanecarboxylate CAS Name: 1-(4-but-3-enylcyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 1-(4-but-3-enylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-but-3-enylcyclohexyl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C24H30FNO2 MolecularWeight: 383.498903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C=CCCC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C24H30FNO2/c1-2-3-7-18-8-11-20(12-9-18)24(14-5-4-6-15-24)23(27)28-21-13-10-19(17-26)22(25)16-21/h2,10,13,16,18,20H,1,3-9,11-12,14-15H2