4-[[4-(2-carboxyethyl)-3-oxidanyl-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-(2-carboxyethyl)-3-oxidanyl-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-(2-carboxyethyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-(2-carboxyethyl)-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-(2-carboxyethyl)-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-(2-carboxyethyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)CCC(=O)O)OCC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)CCC(=O)O)OCC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C21H24O7/c1-3-4-16-17(9-7-13(20(16)24)8-10-19(22)23)28-12-15-6-5-14(21(25)26)11-18(15)27-2/h5-7,9,11,24H,3-4,8,10,12H2,1-2H3,(H,22,23)(H,25,26)