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

Systemtic Name: 2-[4-[[4-ethoxycarbonyl-5-(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-ethoxycarbonyl-5-(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-ethoxycarbonyl-5-(hydroxymethyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-ethoxycarbonyl-5-(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-carbethoxy-5-methylol-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)C(=O)OCC

InChI

InChI=1S/C24H26N2O5/c1-3-7-21-25-22(24(30)31-4-2)20(15-27)26(21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)23(28)29/h5-6,8-13,27H,3-4,7,14-15H2,1-2H3,(H,28,29)