(4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)-3-fluoranyl-benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)-3-fluoranyl-benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)-3-fluoro-benzoate CAS Name: 4-(4-decoxyphenyl)-3-fluorobenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-decoxyphenyl)-3-fluorobenzoate Traditional Name: 4-(4-decoxyphenyl)-3-fluoro-benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C37H52FNO3 MolecularWeight: 577.812083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C37H52FNO3/c1-3-5-7-9-10-11-13-15-27-41-32-19-16-30(17-20-32)34-21-18-31(28-35(34)38)36(40)42-33-22-25-37(29-39,26-23-33)24-14-12-8-6-4-2/h16-21,28,33H,3-15,22-27H2,1-2H3