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

Systemtic Name: 1-[(3-carboxy-4-phenyl-phenyl)methyl]-2-ethyl-5-(2-oxidanylpropan-2-yl)imidazole-4-carboxylic acid Openeye Name: 1-[(3-carboxy-4-phenyl-phenyl)methyl]-2-ethyl-5-(1-hydroxy-1-methyl-ethyl)imidazole-4-carboxylic acid CAS Name: 1-[(3-carboxy-4-phenylphenyl)methyl]-2-ethyl-5-(2-hydroxypropan-2-yl)-4-imidazolecarboxylic acid IUPAC Name: 1-[(3-carboxy-4-phenylphenyl)methyl]-2-ethyl-5-(2-hydroxypropan-2-yl)imidazole-4-carboxylic acid Traditional Name: 1-(3-carboxy-4-phenyl-benzyl)-2-ethyl-5-(1-hydroxy-1-methyl-ethyl)imidazole-4-carboxylic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(C)(C)O)C(=O)O

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(C)(C)O)C(=O)O

InChI

InChI=1S/C23H24N2O5/c1-4-18-24-19(22(28)29)20(23(2,3)30)25(18)13-14-10-11-16(17(12-14)21(26)27)15-8-6-5-7-9-15/h5-12,30H,4,13H2,1-3H3,(H,26,27)(H,28,29)