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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-butoxyphenyl)-3-fluoranyl-benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-butoxyphenyl)-3-fluoro-benzoate CAS Name: 4-(4-butoxyphenyl)-3-fluorobenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-butoxyphenyl)-3-fluorobenzoate Traditional Name: 4-(4-butoxyphenyl)-3-fluoro-benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C31H40FNO3 MolecularWeight: 493.652603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCCCC)F)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCCCC)F)C#N

InChI

InChI=1S/C31H40FNO3/c1-3-5-7-8-9-18-31(23-33)19-16-27(17-20-31)36-30(34)25-12-15-28(29(32)22-25)24-10-13-26(14-11-24)35-21-6-4-2/h10-15,22,27H,3-9,16-21H2,1-2H3