2-[4-[(2-butyl-5-carboxyoxy-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-carboxyoxy-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-carboxyoxy-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(methylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-carboxyoxy-4-methylsulfanylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(methylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)O)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)O)SC

InChI

InChI=1S/C23H24N2O5S/c1-3-4-9-19-24-20(31-2)21(30-23(28)29)25(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(26)27/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,26,27)(H,28,29)