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

Systemtic Name: tert-butyl 5-[[4-cyano-5-(1-oxidanylbutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[4-cyano-5-(1-hydroxybutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[4-cyano-5-(1-hydroxybutyl)-2-propyl-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-cyano-5-(1-hydroxybutyl)-2-propylimidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[4-cyano-5-(1-hydroxybutyl)-2-propyl-imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(CCC)O)C#N

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(CCC)O)C#N

InChI

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