2-butyl-3-[[4-(2-carboxy-5-fluoranyl-phenyl)phenyl]methyl]-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxy-5-fluoranyl-phenyl)phenyl]methyl]-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxy-5-fluoro-phenyl)phenyl]methyl]-5-chloro-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxy-5-fluorophenyl)phenyl]methyl]-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxy-5-fluorophenyl)phenyl]methyl]-5-chloroimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxy-5-fluoro-phenyl)benzyl]-5-chloro-imidazole-4-carboxylic acid Formula: C22H20ClFN2O4 MolecularWeight: 430.856603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC(=C3)F)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC(=C3)F)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H20ClFN2O4/c1-2-3-4-18-25-20(23)19(22(29)30)26(18)12-13-5-7-14(8-6-13)17-11-15(24)9-10-16(17)21(27)28/h5-11H,2-4,12H2,1H3,(H,27,28)(H,29,30)