2-butyl-1-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-1-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-1-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloro-imidazole-4-carboxylic acid CAS Name: 2-butyl-1-[(3-carboxy-4-phenylphenyl)methyl]-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-1-[(3-carboxy-4-phenylphenyl)methyl]-5-chloroimidazole-4-carboxylic acid Traditional Name: 2-butyl-1-(3-carboxy-4-phenyl-benzyl)-5-chloro-imidazole-4-carboxylic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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