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

Systemtic Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxyethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxyethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxyethylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxyethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carbethoxy-4-(2-hydroxyethylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)SCCO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)SCCO

InChI

InChI=1S/C26H30N2O5S/c1-3-5-10-22-27-24(34-16-15-29)23(26(32)33-4-2)28(22)17-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25(30)31/h6-9,11-14,29H,3-5,10,15-17H2,1-2H3,(H,30,31)