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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-pentoxy-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoro-4-pentoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-pentoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(3-fluoro-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-3-fluoro-phenyl)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)26-13-11-25(12-14-26)27-15-16-30(29(33)23-27)36-22-10-6-4-2/h11-16,23,28H,3-10,17-22H2,1-2H3