[3-(cyanomethyl)phenyl]-(2,3-dimethyl-3-oxidanyl-butan-2-yl)oxy-borinic acid

Systemtic Name: [3-(cyanomethyl)phenyl]-(2,3-dimethyl-3-oxidanyl-butan-2-yl)oxy-borinic acid Openeye Name: [3-(cyanomethyl)phenyl]-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid CAS Name: [3-(cyanomethyl)phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid IUPAC Name: [3-(cyanomethyl)phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid Traditional Name: [3-(cyanomethyl)phenyl]-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid Formula: C14H20BNO3 MolecularWeight: 261.1245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)CC#N)(O)OC(C)(C)C(C)(C)O

Isomeric SMILES

B(C1=CC(=CC=C1)CC#N)(O)OC(C)(C)C(C)(C)O

InChI

InChI=1S/C14H20BNO3/c1-13(2,17)14(3,4)19-15(18)12-7-5-6-11(10-12)8-9-16/h5-7,10,17-18H,8H2,1-4H3