3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-oxidanylbutan-2-yl)-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-oxidanylbutan-2-yl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(1-hydroxy-1-methyl-propyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxybutan-2-yl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxybutan-2-yl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-5-(1-hydroxy-1-methyl-propyl)-2-propyl-imidazole-4-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(C)(CC)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)C(C)(CC)O

InChI

InChI=1S/C25H28N2O5/c1-4-8-20-26-22(25(3,32)5-2)21(24(30)31)27(20)15-16-11-13-17(14-12-16)18-9-6-7-10-19(18)23(28)29/h6-7,9-14,32H,4-5,8,15H2,1-3H3,(H,28,29)(H,30,31)