[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]methyl ethanoate

Systemtic Name: [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]methyl ethanoate Openeye Name: [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridyl]methyl acetate CAS Name: acetic acid [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methyl ester IUPAC Name: [2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]methyl acetate Traditional Name: acetic acid [2-butoxy-6-(4-fluorophenyl)-5-(4-mesylphenyl)-3-pyridyl]methyl ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)COC(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)COC(=O)C

InChI

InChI=1S/C25H26FNO5S/c1-4-5-14-31-25-20(16-32-17(2)28)15-23(18-8-12-22(13-9-18)33(3,29)30)24(27-25)19-6-10-21(26)11-7-19/h6-13,15H,4-5,14,16H2,1-3H3