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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(2-fluoranyl-4-heptoxy-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(2-fluoro-4-heptoxy-phenyl)benzoate CAS Name: 4-(2-fluoro-4-heptoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(2-fluoro-4-heptoxyphenyl)benzoate Traditional Name: 4-(2-fluoro-4-heptoxy-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C34H46FNO3 MolecularWeight: 535.732343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46FNO3/c1-3-5-7-9-11-21-34(26-36)22-19-29(20-23-34)39-33(37)28-15-13-27(14-16-28)31-18-17-30(25-32(31)35)38-24-12-10-8-6-4-2/h13-18,25,29H,3-12,19-24H2,1-2H3