3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]-3-iodanyl-phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]-3-iodanyl-phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]-3-iodo-phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methylpent-2-en-4-ynoxy]-3-iodophenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methylpent-2-en-4-ynoxy]-3-iodophenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[(E)-5-(3,5-dimethoxyphenyl)-3-methyl-pent-2-en-4-ynoxy]-3-iodo-phenyl]-2-ethoxy-propionic acid Formula: C25H27IO6 MolecularWeight: 550.38275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=C(C=C1)OCC=C(C)C#CC2=CC(=CC(=C2)OC)OC)I)C(=O)O

Isomeric SMILES

CCOC(CC1=CC(=C(C=C1)OC/C=C(\C)/C#CC2=CC(=CC(=C2)OC)OC)I)C(=O)O

InChI

InChI=1S/C25H27IO6/c1-5-31-24(25(27)28)15-19-8-9-23(22(26)14-19)32-11-10-17(2)6-7-18-12-20(29-3)16-21(13-18)30-4/h8-10,12-14,16,24H,5,11,15H2,1-4H3,(H,27,28)/b17-10+