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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[4-[(E)-pent-3-enyl]phenyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[4-[(E)-pent-3-enyl]phenyl]cyclohexanecarboxylate CAS Name: 4-[4-[(E)-pent-3-enyl]phenyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[4-[(E)-pent-3-enyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-[(E)-pent-3-enyl]phenyl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H26FNO2 MolecularWeight: 391.477843

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C/C=C/CCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H26FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h2-3,6-9,14-16,20-21H,4-5,10-13H2,1H3/b3-2+