(6-chloranylpyridin-3-yl) 4-(4-butylphenyl)-2,3-bis(fluoranyl)benzoate

Systemtic Name: (6-chloranylpyridin-3-yl) 4-(4-butylphenyl)-2,3-bis(fluoranyl)benzoate Openeye Name: (6-chloro-3-pyridyl) 4-(4-butylphenyl)-2,3-difluoro-benzoate CAS Name: 4-(4-butylphenyl)-2,3-difluorobenzoic acid (6-chloro-3-pyridinyl) ester IUPAC Name: (6-chloropyridin-3-yl) 4-(4-butylphenyl)-2,3-difluorobenzoate Traditional Name: 4-(4-butylphenyl)-2,3-difluoro-benzoic acid (6-chloro-3-pyridyl) ester Formula: C22H18ClF2NO2 MolecularWeight: 401.833626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CN=C(C=C3)Cl)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CN=C(C=C3)Cl)F)F

InChI

InChI=1S/C22H18ClF2NO2/c1-2-3-4-14-5-7-15(8-6-14)17-10-11-18(21(25)20(17)24)22(27)28-16-9-12-19(23)26-13-16/h5-13H,2-4H2,1H3