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

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

Isomeric SMILES

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

InChI

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