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

Systemtic Name: 4-[[4-(dimethylcarbamoyl)-3-oxidanyl-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-(dimethylcarbamoyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-[dimethylamino(oxo)methyl]-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-(dimethylcarbamoyl)-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-(dimethylcarbamoyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-5-6-15-17(10-9-16(19(15)23)20(24)22(2)3)28-12-14-8-7-13(21(25)26)11-18(14)27-4/h7-11,23H,5-6,12H2,1-4H3,(H,25,26)