2-[[2-(2-carboxyethyl)-5-methoxy-phenyl]methyl]-3-(2-methyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[[2-(2-carboxyethyl)-5-methoxy-phenyl]methyl]-3-(2-methyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[[2-(2-carboxyethyl)-5-methoxy-phenyl]methyl]-3-(4-hydroxy-2-methyl-phenyl)propanoic acid CAS Name: 2-[[2-(2-carboxyethyl)-5-methoxyphenyl]methyl]-3-(4-hydroxy-2-methylphenyl)propanoic acid IUPAC Name: 2-[[2-(2-carboxyethyl)-5-methoxyphenyl]methyl]-3-(4-hydroxy-2-methylphenyl)propanoic acid Traditional Name: 2-[2-(2-carboxyethyl)-5-methoxy-benzyl]-3-(4-hydroxy-2-methyl-phenyl)propionic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)CC(CC2=C(C=CC(=C2)OC)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)O)CC(CC2=C(C=CC(=C2)OC)CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H24O6/c1-13-9-18(22)6-3-15(13)10-17(21(25)26)11-16-12-19(27-2)7-4-14(16)5-8-20(23)24/h3-4,6-7,9,12,17,22H,5,8,10-11H2,1-2H3,(H,23,24)(H,25,26)