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

Systemtic Name: 2-[4-[[2-butyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-4-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-4-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-4-(2-hydroxypropan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-(1-hydroxy-1-methyl-ethyl)-5-(pivaloyloxymethoxycarbonyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C31H38N2O7 MolecularWeight: 550.64262

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H38N2O7/c1-7-8-13-24-32-26(31(5,6)38)25(28(36)39-19-40-29(37)30(2,3)4)33(24)18-20-14-16-21(17-15-20)22-11-9-10-12-23(22)27(34)35/h9-12,14-17,38H,7-8,13,18-19H2,1-6H3,(H,34,35)