(4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-hexoxy-phenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-hexoxy-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoro-4-hexoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-hexoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(3-fluoro-4-hexoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-hexoxy-phenyl)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=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC)F)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=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)27-14-12-26(13-15-27)28-16-17-31(30(34)24-28)37-23-11-8-6-4-2/h12-17,24,29H,3-11,18-23H2,1-2H3