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

Systemtic Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-oxidanylpropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxypropan-2-yl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carbethoxy-4-(1-hydroxy-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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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)OCC)C(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5/c1-5-7-12-22-28-24(27(3,4)33)23(26(32)34-6-2)29(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(30)31/h8-11,13-16,33H,5-7,12,17H2,1-4H3,(H,30,31)