(4-cyanophenyl) 4-[4-(decoxymethyl)cyclohexyl]-3-fluoranyl-benzoate

Systemtic Name: (4-cyanophenyl) 4-[4-(decoxymethyl)cyclohexyl]-3-fluoranyl-benzoate Openeye Name: (4-cyanophenyl) 4-[4-(decoxymethyl)cyclohexyl]-3-fluoro-benzoate CAS Name: 4-[4-(decoxymethyl)cyclohexyl]-3-fluorobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[4-(decoxymethyl)cyclohexyl]-3-fluorobenzoate Traditional Name: 4-[4-(decoxymethyl)cyclohexyl]-3-fluoro-benzoic acid (4-cyanophenyl) ester Formula: C31H40FNO3 MolecularWeight: 493.652603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCOCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C31H40FNO3/c1-2-3-4-5-6-7-8-9-20-35-23-25-10-14-26(15-11-25)29-19-16-27(21-30(29)32)31(34)36-28-17-12-24(22-33)13-18-28/h12-13,16-19,21,25-26H,2-11,14-15,20,23H2,1H3