(4-cyano-4-heptyl-cyclohexyl) 2-fluoranyl-4-(4-hexoxyphenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 2-fluoranyl-4-(4-hexoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 2-fluoro-4-(4-hexoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 2-fluoro-4-(4-hexoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H44FNO3 MolecularWeight: 521.705763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44FNO3/c1-3-5-7-9-10-20-33(25-35)21-18-29(19-22-33)38-32(36)30-17-14-27(24-31(30)34)26-12-15-28(16-13-26)37-23-11-8-6-4-2/h12-17,24,29H,3-11,18-23H2,1-2H3