3-[4-[4-(2-carboxyethyl)-2,6-dimethoxy-phenoxy]-3,5-dimethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(2-carboxyethyl)-2,6-dimethoxy-phenoxy]-3,5-dimethoxy-phenyl]propanoic acid Openeye Name: 3-[4-[4-(2-carboxyethyl)-2,6-dimethoxy-phenoxy]-3,5-dimethoxy-phenyl]propanoic acid CAS Name: 3-[4-[4-(2-carboxyethyl)-2,6-dimethoxyphenoxy]-3,5-dimethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[4-(2-carboxyethyl)-2,6-dimethoxyphenoxy]-3,5-dimethoxyphenyl]propanoic acid Traditional Name: 3-[4-[4-(2-carboxyethyl)-2,6-dimethoxy-phenoxy]-3,5-dimethoxy-phenyl]propionic acid Formula: C22H26O9 MolecularWeight: 434.43644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC2=C(C=C(C=C2OC)CCC(=O)O)OC)OC)CCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC2=C(C=C(C=C2OC)CCC(=O)O)OC)OC)CCC(=O)O

InChI

InChI=1S/C22H26O9/c1-27-15-9-13(5-7-19(23)24)10-16(28-2)21(15)31-22-17(29-3)11-14(6-8-20(25)26)12-18(22)30-4/h9-12H,5-8H2,1-4H3,(H,23,24)(H,25,26)