[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid hydrochloride

Systemtic Name: [4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid hydrochloride Openeye Name: [4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid hydrochloride CAS Name: [4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]phenyl]boronic acid hydrochloride IUPAC Name: [4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid hydrochloride Traditional Name: [4-(2-pyrrolidinoethylcarbamoyl)phenyl]boronic acid hydrochloride Formula: C13H20BClN2O3 MolecularWeight: 298.5735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)NCCN2CCCC2)(O)O.Cl

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)NCCN2CCCC2)(O)O.Cl

InChI

InChI=1S/C13H19BN2O3.ClH/c17-13(15-7-10-16-8-1-2-9-16)11-3-5-12(6-4-11)14(18)19;/h3-6,18-19H,1-2,7-10H2,(H,15,17);1H