(4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxy-2-fluoranyl-phenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxy-2-fluoranyl-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxy-2-fluoro-phenyl)benzoate CAS Name: 4-(4-decoxy-2-fluorophenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-decoxy-2-fluorophenyl)benzoate Traditional Name: 4-(4-decoxy-2-fluoro-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C37H52FNO3 MolecularWeight: 577.812083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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