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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C=C/C1CCC(CC1)C2=CC=C(C=C2)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/h4-5,10-16,18-19H,2-3,6-9H2,1H3/b5-4+