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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-oxidanylpropan-2-yl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-(1-hydroxy-1-methyl-ethyl)imidazole-4-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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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)C(C)(C)O

Isomeric SMILES

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

InChI

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