(4-cyano-3-fluoranyl-phenyl) 1-[4-(3-methylidenepentyl)cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 1-[4-(3-methylidenepentyl)cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 1-[4-(3-methylenepentyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 1-[4-(3-methylenepentyl)cyclohexyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 1-[4-(3-methylidenepentyl)cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(3-ethylbut-3-enyl)cyclohexyl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C26H34FNO2 MolecularWeight: 411.552063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)CCC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC(=C)CCC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C26H34FNO2/c1-3-19(2)7-8-20-9-12-22(13-10-20)26(15-5-4-6-16-26)25(29)30-23-14-11-21(18-28)24(27)17-23/h11,14,17,20,22H,2-10,12-13,15-16H2,1H3