3-[6-iodanyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-iodanyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]propanoic acid Openeye Name: 3-[6-iodo-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridyl]propanoic acid CAS Name: 3-[6-iodo-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridinyl]propanoic acid IUPAC Name: 3-[6-iodo-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]propanoic acid Traditional Name: 3-[6-iodo-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridyl]propionic acid Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCOC2=C(N=C(C=C2)I)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCOC2=C(N=C(C=C2)I)CCC(=O)O

InChI

InChI=1S/C21H24INO4/c1-26-17-9-7-16(8-10-17)6-4-2-3-5-15-27-19-12-13-20(22)23-18(19)11-14-21(24)25/h4,6-10,12-13H,2-3,5,11,14-15H2,1H3,(H,24,25)/b6-4+