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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-cyano-2-methyl-5-(2-methylpentan-3-yl)-3-oxidanyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-cyano-5-(1-ethyl-2-methyl-propyl)-3-hydroxy-2-methyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-cyano-3-hydroxy-2-methyl-5-(2-methylpentan-3-yl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-cyano-3-hydroxy-2-methyl-5-(2-methylpentan-3-yl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-cyano-5-(1-ethyl-2-methyl-propyl)-3-hydroxy-2-methyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H45N3O3 MolecularWeight: 531.7287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N(C(=C(N1O)C#N)C(CC)C(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCC1(N(C(=C(N1O)C#N)C(CC)C(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C

InChI

InChI=1S/C33H45N3O3/c1-9-11-20-33(8)35(30(26(10-2)23(3)4)29(21-34)36(33)38)22-24-16-18-25(19-17-24)27-14-12-13-15-28(27)31(37)39-32(5,6)7/h12-19,23,26,38H,9-11,20,22H2,1-8H3