(4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-pentoxyphenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-pentoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoro-4-(4-pentoxyphenyl)benzoate CAS Name: 3-fluoro-4-(4-pentoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 3-fluoro-4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)-3-fluoro-benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C32H42FNO3 MolecularWeight: 507.679183

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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)OCCCCC)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H42FNO3/c1-3-5-7-8-9-19-32(24-34)20-17-28(18-21-32)37-31(35)26-13-16-29(30(33)23-26)25-11-14-27(15-12-25)36-22-10-6-4-2/h11-16,23,28H,3-10,17-22H2,1-2H3