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

Systemtic Name: tert-butyl 5-[[2-butyl-4-cyano-5-[oxidanyl(phenyl)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-cyano-5-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-cyano-5-[hydroxy(phenyl)methyl]-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-cyano-5-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-cyano-5-[hydroxy(phenyl)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C33H35N3O3 MolecularWeight: 521.6493

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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(C4=CC=CC=C4)O)C#N

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(C4=CC=CC=C4)O)C#N

InChI

InChI=1S/C33H35N3O3/c1-5-6-17-29-35-28(21-34)30(31(37)25-15-11-8-12-16-25)36(29)22-23-18-19-26(24-13-9-7-10-14-24)27(20-23)32(38)39-33(2,3)4/h7-16,18-20,31,37H,5-6,17,22H2,1-4H3