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

Systemtic Name: 2-azanyl-3-[3-(1H-imidazol-2-yl)phenyl]-2-methyl-propanoic acid hydrate dihydrochloride Openeye Name: 2-amino-3-[3-(1H-imidazol-2-yl)phenyl]-2-methyl-propanoic acid hydrate dihydrochloride CAS Name: 2-amino-3-[3-(1H-imidazol-2-yl)phenyl]-2-methylpropanoic acid hydrate dihydrochloride IUPAC Name: 2-amino-3-[3-(1H-imidazol-2-yl)phenyl]-2-methylpropanoic acid hydrate dihydrochloride Traditional Name: 2-amino-3-[3-(1H-imidazol-2-yl)phenyl]-2-methyl-propionic acid hydrate dihydrochloride Formula: C13H19Cl2N3O3 MolecularWeight: 336.21426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)C2=NC=CN2)(C(=O)O)N.O.Cl.Cl

Isomeric SMILES

CC(CC1=CC=CC(=C1)C2=NC=CN2)(C(=O)O)N.O.Cl.Cl

InChI

InChI=1S/C13H15N3O2.2ClH.H2O/c1-13(14,12(17)18)8-9-3-2-4-10(7-9)11-15-5-6-16-11;;;/h2-7H,8,14H2,1H3,(H,15,16)(H,17,18);2*1H;1H2