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

Systemtic Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-oxidanylpropan-2-yl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-4-7-20-26-22(24(2,3)30)21(23(28)29)27(20)15-16-10-12-17(13-11-16)19-9-6-5-8-18(19)14-25/h5-6,8-13,30H,4,7,15H2,1-3H3,(H,28,29)