2-[[5-(2-carboxyethyl)-2-methoxy-phenoxy]methyl]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 2-[[5-(2-carboxyethyl)-2-methoxy-phenoxy]methyl]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[[5-(2-carboxyethyl)-2-methoxy-phenoxy]methyl]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[[5-(2-carboxyethyl)-2-methoxyphenoxy]methyl]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[[5-(2-carboxyethyl)-2-methoxyphenoxy]methyl]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[[5-(2-carboxyethyl)-2-methoxy-phenoxy]methyl]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C22H26O8 MolecularWeight: 418.43704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)O)OCC(CC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)O)OCC(CC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C22H26O8/c1-27-17-8-5-15(12-19(17)29-3)10-16(22(25)26)13-30-20-11-14(6-9-21(23)24)4-7-18(20)28-2/h4-5,7-8,11-12,16H,6,9-10,13H2,1-3H3,(H,23,24)(H,25,26)