3-[2-(dihydroxyboranyl)-2-(2-pyridin-4-ylethanoylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(2-pyridin-4-ylethanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-[[2-(4-pyridyl)acetyl]amino]ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-[[2-(4-pyridyl)acetyl]amino]ethyl]-2-hydroxy-benzoic acid Formula: C16H17BN2O6 MolecularWeight: 344.12698

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CC2=CC=NC=C2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CC2=CC=NC=C2)(O)O

InChI

InChI=1S/C16H17BN2O6/c20-14(8-10-4-6-18-7-5-10)19-13(17(24)25)9-11-2-1-3-12(15(11)21)16(22)23/h1-7,13,21,24-25H,8-9H2,(H,19,20)(H,22,23)