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

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-oxidanylpropan-2-yl)-2-propyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)OCC)C(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-5-9-22-28-24(26(3,4)31)23(25(30)32-6-2)29(22)17-18-12-14-19(15-13-18)21-11-8-7-10-20(21)16-27/h7-8,10-15,31H,5-6,9,17H2,1-4H3