tert-butyl 2-[4-[[2-butyl-5-cyano-4-(2,4-dimethyl-3-oxidanyl-pentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(2,4-dimethyl-3-oxidanyl-pentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-1-isopropyl-2-methyl-propyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-cyano-4-(3-hydroxy-2,4-dimethylpentan-3-yl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-cyano-4-(3-hydroxy-2,4-dimethylpentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-cyano-4-(1-hydroxy-1-isopropyl-2-methyl-propyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H43N3O3 MolecularWeight: 529.71282

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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(C)C)(C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C33H43N3O3/c1-9-10-15-29-35-30(33(38,22(2)3)23(4)5)28(20-34)36(29)21-24-16-18-25(19-17-24)26-13-11-12-14-27(26)31(37)39-32(6,7)8/h11-14,16-19,22-23,38H,9-10,15,21H2,1-8H3