1-[4-(dihydroxyboranyl)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(dihydroxyboranyl)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-boronobenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-boronophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-boronobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-boronobenzoyl)isonipecotic acid Formula: C13H16BNO5 MolecularWeight: 277.08084

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)(O)O

InChI

InChI=1S/C13H16BNO5/c16-12(9-1-3-11(4-2-9)14(19)20)15-7-5-10(6-8-15)13(17)18/h1-4,10,19-20H,5-8H2,(H,17,18)