diethylboranyl 4-oxidanylisoquinoline-3-carboxylate

Systemtic Name: diethylboranyl 4-oxidanylisoquinoline-3-carboxylate Openeye Name: diethylboranyl 4-hydroxyisoquinoline-3-carboxylate CAS Name: 4-hydroxy-3-isoquinolinecarboxylic acid diethylboranyl ester IUPAC Name: diethylboranyl 4-hydroxyisoquinoline-3-carboxylate Traditional Name: 4-hydroxyisoquinoline-3-carboxylic acid diethylboranyl ester Formula: C14H16BNO3 MolecularWeight: 257.09274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(CC)(CC)OC(=O)C1=C(C2=CC=CC=C2C=N1)O

Isomeric SMILES

B(CC)(CC)OC(=O)C1=C(C2=CC=CC=C2C=N1)O

InChI

InChI=1S/C14H16BNO3/c1-3-15(4-2)19-14(18)12-13(17)11-8-6-5-7-10(11)9-16-12/h5-9,17H,3-4H2,1-2H3