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

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(3-oxidanylpentan-3-yl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(1-ethyl-1-hydroxy-propyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(3-hydroxypentan-3-yl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(3-hydroxypentan-3-yl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-5-(1-ethyl-1-hydroxy-propyl)-2-propyl-imidazole-4-carboxylic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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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(CC)(CC)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-4-9-21-27-23(26(33,5-2)6-3)22(25(31)32)28(21)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)24(29)30/h7-8,10-15,33H,4-6,9,16H2,1-3H3,(H,29,30)(H,31,32)