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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(1-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(2-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-cyano-4-(1-hydroxypropan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(1-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-cyano-4-(2-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O3/c1-6-7-12-26-31-27(20(2)19-33)25(17-30)32(26)18-21-13-15-22(16-14-21)23-10-8-9-11-24(23)28(34)35-29(3,4)5/h8-11,13-16,20,33H,6-7,12,18-19H2,1-5H3