2-azanyl-3-[2-(1H-imidazol-2-yl)phenyl]propanoic acid hydrate dihydrochloride

Systemtic Name: 2-azanyl-3-[2-(1H-imidazol-2-yl)phenyl]propanoic acid hydrate dihydrochloride Openeye Name: 2-amino-3-[2-(1H-imidazol-2-yl)phenyl]propanoic acid hydrate dihydrochloride CAS Name: 2-amino-3-[2-(1H-imidazol-2-yl)phenyl]propanoic acid hydrate dihydrochloride IUPAC Name: 2-amino-3-[2-(1H-imidazol-2-yl)phenyl]propanoic acid hydrate dihydrochloride Traditional Name: 2-amino-3-[2-(1H-imidazol-2-yl)phenyl]propionic acid hydrate dihydrochloride Formula: C12H17Cl2N3O3 MolecularWeight: 322.18768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)O)N)C2=NC=CN2.O.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)O)N)C2=NC=CN2.O.Cl.Cl

InChI

InChI=1S/C12H13N3O2.2ClH.H2O/c13-10(12(16)17)7-8-3-1-2-4-9(8)11-14-5-6-15-11;;;/h1-6,10H,7,13H2,(H,14,15)(H,16,17);2*1H;1H2