(4-butylcyclohexyl) 4-(2-fluoranyl-4-propyl-phenyl)benzoate

Systemtic Name: (4-butylcyclohexyl) 4-(2-fluoranyl-4-propyl-phenyl)benzoate Openeye Name: (4-butylcyclohexyl) 4-(2-fluoro-4-propyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-propylphenyl)benzoic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 4-(2-fluoro-4-propylphenyl)benzoate Traditional Name: 4-(2-fluoro-4-propyl-phenyl)benzoic acid (4-butylcyclohexyl) ester Formula: C26H33FO2 MolecularWeight: 396.537423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCC)F

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCC)F

InChI

InChI=1S/C26H33FO2/c1-3-5-7-19-8-15-23(16-9-19)29-26(28)22-13-11-21(12-14-22)24-17-10-20(6-4-2)18-25(24)27/h10-14,17-19,23H,3-9,15-16H2,1-2H3