3-[2-(dihydroxyboranyl)-2-(naphthalen-1-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(naphthalen-1-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(naphthalene-1-carbonylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[1-naphthalenyl(oxo)methyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(naphthalene-1-carbonylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(1-naphthoylamino)ethyl]-2-hydroxy-benzoic acid Formula: C20H18BNO6 MolecularWeight: 379.17102

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=CC3=CC=CC=C32)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=CC3=CC=CC=C32)(O)O

InChI

InChI=1S/C20H18BNO6/c23-18-13(7-4-10-16(18)20(25)26)11-17(21(27)28)22-19(24)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17,23,27-28H,11H2,(H,22,24)(H,25,26)