butyl 2-[4-(5-iodanylpyridin-2-yl)-2-oxidanyl-phenoxy]propanoate

Systemtic Name: butyl 2-[4-(5-iodanylpyridin-2-yl)-2-oxidanyl-phenoxy]propanoate Openeye Name: butyl 2-[2-hydroxy-4-(5-iodo-2-pyridyl)phenoxy]propanoate CAS Name: 2-[2-hydroxy-4-(5-iodo-2-pyridinyl)phenoxy]propanoic acid butyl ester IUPAC Name: butyl 2-[2-hydroxy-4-(5-iodopyridin-2-yl)phenoxy]propanoate Traditional Name: 2-[2-hydroxy-4-(5-iodo-2-pyridyl)phenoxy]propionic acid butyl ester Formula: C18H20INO4 MolecularWeight: 441.26017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC1=C(C=C(C=C1)C2=NC=C(C=C2)I)O

Isomeric SMILES

CCCCOC(=O)C(C)OC1=C(C=C(C=C1)C2=NC=C(C=C2)I)O

InChI

InChI=1S/C18H20INO4/c1-3-4-9-23-18(22)12(2)24-17-8-5-13(10-16(17)21)15-7-6-14(19)11-20-15/h5-8,10-12,21H,3-4,9H2,1-2H3