N-[1-methoxy-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-methyl-boronamidic acid

Systemtic Name: N-[1-methoxy-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-methyl-boronamidic acid Openeye Name: N-[2-methoxy-2-oxo-1-(p-tolylmethyl)ethyl]-methyl-boronamidic acid CAS Name: N-[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylboronamidic acid IUPAC Name: N-[1-methoxy-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylboronamidic acid Traditional Name: N-[2-keto-2-methoxy-1-(4-methylbenzyl)ethyl]-methyl-boronamidic acid Formula: C12H18BNO3 MolecularWeight: 235.08722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC(CC1=CC=C(C=C1)C)C(=O)OC)O

Isomeric SMILES

B(C)(NC(CC1=CC=C(C=C1)C)C(=O)OC)O

InChI

InChI=1S/C12H18BNO3/c1-9-4-6-10(7-5-9)8-11(12(15)17-3)14-13(2)16/h4-7,11,14,16H,8H2,1-3H3