3-[2-(dihydroxyboranyl)-2-(2-phenylmethoxyethanoylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(2-phenylmethoxyethanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-[(2-benzyloxyacetyl)amino]-2-borono-ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(1-oxo-2-phenylmethoxyethyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(2-phenylmethoxyacetyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-[(2-benzoxyacetyl)amino]-2-borono-ethyl]-2-hydroxy-benzoic acid Formula: C18H20BNO7 MolecularWeight: 373.1649

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)COCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)COCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C18H20BNO7/c21-16(11-27-10-12-5-2-1-3-6-12)20-15(19(25)26)9-13-7-4-8-14(17(13)22)18(23)24/h1-8,15,22,25-26H,9-11H2,(H,20,21)(H,23,24)