2-[4-[[2-butyl-5-cyano-4-(1-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-cyano-4-(1-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-cyano-4-(2-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-cyano-4-(1-hydroxypropan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-cyano-4-(1-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-cyano-4-(2-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C#N)C(C)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C#N)C(C)CO

InChI

InChI=1S/C25H27N3O3/c1-3-4-9-23-27-24(17(2)16-29)22(14-26)28(23)15-18-10-12-19(13-11-18)20-7-5-6-8-21(20)25(30)31/h5-8,10-13,17,29H,3-4,9,15-16H2,1-2H3,(H,30,31)