[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-pentoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-pentoxyphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-pentoxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-pentoxyphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-pentoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amoxyphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C25H27F2NO3 MolecularWeight: 427.483586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H27F2NO3/c1-2-3-4-15-30-21-12-9-18(10-13-21)17-5-7-19(8-6-17)25(29)31-22-14-11-20(16-28)23(26)24(22)27/h9-14,17,19H,2-8,15H2,1H3