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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-butoxy-3-fluoranyl-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-butoxy-3-fluoro-phenyl)benzoate CAS Name: 4-(4-butoxy-3-fluorophenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-butoxy-3-fluorophenyl)benzoate Traditional Name: 4-(4-butoxy-3-fluoro-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C31H40FNO3 MolecularWeight: 493.652603

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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)OCCCC)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H40FNO3/c1-3-5-7-8-9-18-31(23-33)19-16-27(17-20-31)36-30(34)25-12-10-24(11-13-25)26-14-15-29(28(32)22-26)35-21-6-4-2/h10-15,22,27H,3-9,16-21H2,1-2H3