(4-cyano-3-fluoranyl-phenyl) 1-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 1-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 1-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexanecarboxylate CAS Name: 1-[4-[(E)-pent-1-enyl]cyclohexyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 1-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H32FNO2 MolecularWeight: 397.525483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC/C=C/C1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H32FNO2/c1-2-3-5-8-19-9-12-21(13-10-19)25(15-6-4-7-16-25)24(28)29-22-14-11-20(18-27)23(26)17-22/h5,8,11,14,17,19,21H,2-4,6-7,9-10,12-13,15-16H2,1H3/b8-5+