[2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate dihydrochloride

Systemtic Name: [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate dihydrochloride Openeye Name: [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate dihydrochloride CAS Name: benzoic acid [2-[3-(1-imidazolyl)propylamino]-2-methylpropyl] ester dihydrochloride IUPAC Name: [2-(3-imidazol-1-ylpropylamino)-2-methylpropyl] benzoate dihydrochloride Traditional Name: benzoic acid [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] ester dihydrochloride Formula: C17H25Cl2N3O2 MolecularWeight: 374.3053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC=C1)NCCCN2C=CN=C2.Cl.Cl

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC=C1)NCCCN2C=CN=C2.Cl.Cl

InChI

InChI=1S/C17H23N3O2.2ClH/c1-17(2,19-9-6-11-20-12-10-18-14-20)13-22-16(21)15-7-4-3-5-8-15;;/h3-5,7-8,10,12,14,19H,6,9,11,13H2,1-2H3;2*1H