3-[[4-(dihydroxyboranyl)phenyl]methyl]-5-(2-oxidanylpropan-2-yl)-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(dihydroxyboranyl)phenyl]methyl]-5-(2-oxidanylpropan-2-yl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(4-boronophenyl)methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(4-boronophenyl)methyl]-5-(2-hydroxypropan-2-yl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(4-boronophenyl)methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-(4-boronobenzyl)-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylic acid Formula: C17H23BN2O5 MolecularWeight: 346.18592

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)O)C(C)(C)O)CCC)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C(=NC(=C2C(=O)O)C(C)(C)O)CCC)(O)O

InChI

InChI=1S/C17H23BN2O5/c1-4-5-13-19-15(17(2,3)23)14(16(21)22)20(13)10-11-6-8-12(9-7-11)18(24)25/h6-9,23-25H,4-5,10H2,1-3H3,(H,21,22)