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

Systemtic Name: tert-butyl 5-[(2-butyl-4-cyano-5-propanoyl-imidazol-1-yl)methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(2-butyl-4-cyano-5-propanoyl-imidazol-1-yl)methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-cyano-5-(1-oxopropyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-butyl-4-cyano-5-propanoylimidazol-1-yl)methyl]-2-phenylbenzoate Traditional Name: 5-[(2-butyl-4-cyano-5-propionyl-imidazol-1-yl)methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

Click to see the large picture

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(=O)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-6-8-14-26-31-24(18-30)27(25(33)7-2)32(26)19-20-15-16-22(21-12-10-9-11-13-21)23(17-20)28(34)35-29(3,4)5/h9-13,15-17H,6-8,14,19H2,1-5H3