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

Systemtic Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-fluoranylethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-fluoroethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-fluoroethylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-fluoroethylsulfanyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carbethoxy-4-(2-fluoroethylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C26H29FN2O4S MolecularWeight: 484.582863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O4S/c1-3-5-10-22-28-24(34-16-15-27)23(26(32)33-4-2)29(22)17-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25(30)31/h6-9,11-14H,3-5,10,15-17H2,1-2H3,(H,30,31)