(1,1-diethyl-3-oxidanylidene-2,4-dihydroisoquinolin-7-yl)boronic acid

Systemtic Name: (1,1-diethyl-3-oxidanylidene-2,4-dihydroisoquinolin-7-yl)boronic acid Openeye Name: (1,1-diethyl-3-oxo-2,4-dihydroisoquinolin-7-yl)boronic acid CAS Name: (1,1-diethyl-3-oxo-2,4-dihydroisoquinolin-7-yl)boronic acid IUPAC Name: (1,1-diethyl-3-oxo-2,4-dihydroisoquinolin-7-yl)boronic acid Traditional Name: (1,1-diethyl-3-keto-2,4-dihydroisoquinolin-7-yl)boronic acid Formula: C13H18BNO3 MolecularWeight: 247.09792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(CC(=O)NC2(CC)CC)C=C1)(O)O

Isomeric SMILES

B(C1=CC2=C(CC(=O)NC2(CC)CC)C=C1)(O)O

InChI

InChI=1S/C13H18BNO3/c1-3-13(4-2)11-8-10(14(17)18)6-5-9(11)7-12(16)15-13/h5-6,8,17-18H,3-4,7H2,1-2H3,(H,15,16)