2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(1-oxidanylpropan-2-yl)imidazole-4-carboxylic acid

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-3-4-9-21-26-22(16(2)15-28)23(25(31)32)27(21)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24(29)30/h5-8,10-13,16,28H,3-4,9,14-15H2,1-2H3,(H,29,30)(H,31,32)