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

Systemtic Name: tert-butyl 5-[[4-aminocarbonyl-2-butyl-5-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-carbamoyl-5-(2-hydroxypropan-2-yl)-1-imidazolyl]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-butyl-4-carbamoyl-5-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-carbamoyl-5-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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(C)(C)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O4/c1-7-8-14-23-31-24(26(30)33)25(29(5,6)35)32(23)18-19-15-16-21(20-12-10-9-11-13-20)22(17-19)27(34)36-28(2,3)4/h9-13,15-17,35H,7-8,14,18H2,1-6H3,(H2,30,33)