[3-[(2,4-dimethylphenyl)carbamoyl-ethyl-amino]phenyl]boronic acid

Systemtic Name: [3-[(2,4-dimethylphenyl)carbamoyl-ethyl-amino]phenyl]boronic acid Openeye Name: [3-[(2,4-dimethylphenyl)carbamoyl-ethyl-amino]phenyl]boronic acid CAS Name: [3-[[(2,4-dimethylanilino)-oxomethyl]-ethylamino]phenyl]boronic acid IUPAC Name: [3-[(2,4-dimethylphenyl)carbamoyl-ethylamino]phenyl]boronic acid Traditional Name: [3-[(2,4-dimethylphenyl)carbamoyl-ethyl-amino]phenyl]boronic acid Formula: C17H21BN2O3 MolecularWeight: 312.17124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N(CC)C(=O)NC2=C(C=C(C=C2)C)C)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N(CC)C(=O)NC2=C(C=C(C=C2)C)C)(O)O

InChI

InChI=1S/C17H21BN2O3/c1-4-20(15-7-5-6-14(11-15)18(22)23)17(21)19-16-9-8-12(2)10-13(16)3/h5-11,22-23H,4H2,1-3H3,(H,19,21)