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

Systemtic Name: tert-butyl 5-[[2-butyl-4-cyano-5-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-cyano-5-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-cyano-5-(2-hydroxypropan-2-yl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-cyano-5-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-cyano-5-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]-2-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=C3)C(=O)OC(C)(C)C)C(C)(C)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O3/c1-7-8-14-25-31-24(18-30)26(29(5,6)34)32(25)19-20-15-16-22(21-12-10-9-11-13-21)23(17-20)27(33)35-28(2,3)4/h9-13,15-17,34H,7-8,14,19H2,1-6H3