2-[[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[4-[[4-(hydroxymethyl)-2-(propylthio)-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-[[4-methylol-2-(propylthio)-1H-imidazol-5-yl]methyl]phenoxy]methyl]benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C22H24N2O4S/c1-2-11-29-22-23-19(20(13-25)24-22)12-15-7-9-17(10-8-15)28-14-16-5-3-4-6-18(16)21(26)27/h3-10,25H,2,11-14H2,1H3,(H,23,24)(H,26,27)