[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-heptoxyphenyl)benzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-heptoxyphenyl)benzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C27H25F2NO3 MolecularWeight: 449.489106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H25F2NO3/c1-2-3-4-5-6-17-32-23-14-11-20(12-15-23)19-7-9-21(10-8-19)27(31)33-24-16-13-22(18-30)25(28)26(24)29/h7-16H,2-6,17H2,1H3