[1-(4-cyanoheptyl)cyclohexyl] 4-(2-fluoranyl-4-heptyl-phenyl)benzoate

Systemtic Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(2-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(2-fluoro-4-heptyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-heptylphenyl)benzoic acid [1-(4-cyanoheptyl)cyclohexyl] ester IUPAC Name: [1-(4-cyanoheptyl)cyclohexyl] 4-(2-fluoro-4-heptylphenyl)benzoate Traditional Name: 4-(2-fluoro-4-heptyl-phenyl)benzoic acid [1-(4-cyanoheptyl)cyclohexyl] ester Formula: C34H46FNO2 MolecularWeight: 519.732943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3(CCCCC3)CCCC(CCC)C#N)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3(CCCCC3)CCCC(CCC)C#N)F

InChI

InChI=1S/C34H46FNO2/c1-3-5-6-7-9-14-27-16-21-31(32(35)25-27)29-17-19-30(20-18-29)33(37)38-34(22-10-8-11-23-34)24-12-15-28(26-36)13-4-2/h16-21,25,28H,3-15,22-24H2,1-2H3