5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-chloranyl-imidazole-2-carboxylic acid

Systemtic Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-chloranyl-imidazole-2-carboxylic acid Openeye Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-chloro-imidazole-2-carboxylic acid CAS Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-chloro-2-imidazolecarboxylic acid IUPAC Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-chloroimidazole-2-carboxylic acid Traditional Name: 5-butyl-1-[4-(2-carboxyphenyl)benzyl]-4-chloro-imidazole-2-carboxylic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-8-18-19(23)24-20(22(28)29)25(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21(26)27/h4-7,9-12H,2-3,8,13H2,1H3,(H,26,27)(H,28,29)