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

Systemtic Name: 2-[4-[(2-butyl-5-carboxyoxy-4-phenylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-carboxyoxy-4-phenylsulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(phenylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-carboxyoxy-4-phenylsulfanylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carboxyoxy-4-(phenylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H26N2O5S MolecularWeight: 502.58144

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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)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-2-3-13-24-29-25(36-21-9-5-4-6-10-21)26(35-28(33)34)30(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27(31)32/h4-12,14-17H,2-3,13,18H2,1H3,(H,31,32)(H,33,34)