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

Systemtic Name: 2-[4-[(2-butyl-5-carboxyoxy-4-ethylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-carboxyoxy-4-ethylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(ethylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-carboxyoxy-4-ethylsulfanylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(ethylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-3-5-10-20-25-21(32-4-2)22(31-24(29)30)26(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(27)28/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,27,28)(H,29,30)