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

Systemtic Name: 3-[5-(2-carboxyethyl)-2,4-dimethoxy-3-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[5-(2-carboxyethyl)-2,4-dimethoxy-3-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[5-(2-carboxyethyl)-2,4-dimethoxy-3-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[5-(2-carboxyethyl)-2,4-dimethoxy-3-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[5-(2-carboxyethyl)-2,4-dimethoxy-3-(phenoxymethyl)phenyl]propionic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1CCC(=O)O)CCC(=O)O)OC)COC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=C(C=C1CCC(=O)O)CCC(=O)O)OC)COC2=CC=CC=C2

InChI

InChI=1S/C21H24O7/c1-26-20-14(8-10-18(22)23)12-15(9-11-19(24)25)21(27-2)17(20)13-28-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,22,23)(H,24,25)