2-[4-[[2-butyl-4-(2-oxidanylpropan-2-yl)-5-(propan-2-yloxycarbonyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-4-(2-oxidanylpropan-2-yl)-5-(propan-2-yloxycarbonyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-(1-hydroxy-1-methyl-ethyl)-5-(isopropoxycarbonyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(2-hydroxypropan-2-yl)-5-[oxo-[[oxo(propan-2-yloxy)methoxy]methoxy]methyl]-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-(2-hydroxypropan-2-yl)-5-(propan-2-yloxycarbonyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-(1-hydroxy-1-methyl-ethyl)-5-(isopropoxycarbonyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C30H36N2O8 MolecularWeight: 552.61544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCOC(=O)OC(C)C)C(C)(C)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCOC(=O)OC(C)C)C(C)(C)O

InChI

InChI=1S/C30H36N2O8/c1-6-7-12-24-31-26(30(4,5)37)25(28(35)38-18-39-29(36)40-19(2)3)32(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27(33)34/h8-11,13-16,19,37H,6-7,12,17-18H2,1-5H3,(H,33,34)