2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-fluoranylethylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-fluoranylethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-fluoroethylsulfanyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-fluoroethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-fluoroethylsulfanyl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-(2-fluoroethylthio)imidazole-4-carboxylic acid Formula: C24H25FN2O4S MolecularWeight: 456.529703

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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)O)SCCF

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O4S/c1-2-3-8-20-26-22(32-14-13-25)21(24(30)31)27(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23(28)29/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,28,29)(H,30,31)