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

Systemtic Name: 1-[(3-carboxy-4-phenyl-phenyl)methyl]-5-(2-oxidanylpropan-2-yl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 1-[(3-carboxy-4-phenyl-phenyl)methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 1-[(3-carboxy-4-phenylphenyl)methyl]-5-(2-hydroxypropan-2-yl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 1-[(3-carboxy-4-phenylphenyl)methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylic acid Traditional Name: 1-(3-carboxy-4-phenyl-benzyl)-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-4-8-19-25-20(23(29)30)21(24(2,3)31)26(19)14-15-11-12-17(18(13-15)22(27)28)16-9-6-5-7-10-16/h5-7,9-13,31H,4,8,14H2,1-3H3,(H,27,28)(H,29,30)