[(3-chloranyl-4-methyl-phenyl)-phenethyl-boranyl] 3-oxidanylpyridine-2-carboxylate

Systemtic Name: [(3-chloranyl-4-methyl-phenyl)-phenethyl-boranyl] 3-oxidanylpyridine-2-carboxylate Openeye Name: [(3-chloro-4-methyl-phenyl)-phenethyl-boranyl] 3-hydroxypyridine-2-carboxylate CAS Name: 3-hydroxy-2-pyridinecarboxylic acid [(3-chloro-4-methylphenyl)-phenethylboranyl] ester IUPAC Name: [(3-chloro-4-methylphenyl)-phenethylboranyl] 3-hydroxypyridine-2-carboxylate Traditional Name: 3-hydroxypicolinic acid [(3-chloro-4-methyl-phenyl)-phenethyl-boranyl] ester Formula: C21H19BClNO3 MolecularWeight: 379.64446

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Descriptors Computed from Structure

Canonical SMILES:

B(CCC1=CC=CC=C1)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=C(C=CC=N3)O

Isomeric SMILES

B(CCC1=CC=CC=C1)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=C(C=CC=N3)O

InChI

InChI=1S/C21H19BClNO3/c1-15-9-10-17(14-18(15)23)22(12-11-16-6-3-2-4-7-16)27-21(26)20-19(25)8-5-13-24-20/h2-10,13-14,25H,11-12H2,1H3