2-methylpropyl 4-chloranyl-2-(3-imidazol-1-ylpropylamino)benzoate dihydrochloride

Systemtic Name: 2-methylpropyl 4-chloranyl-2-(3-imidazol-1-ylpropylamino)benzoate dihydrochloride Openeye Name: isobutyl 4-chloro-2-(3-imidazol-1-ylpropylamino)benzoate dihydrochloride CAS Name: 4-chloro-2-[3-(1-imidazolyl)propylamino]benzoic acid 2-methylpropyl ester dihydrochloride IUPAC Name: 2-methylpropyl 4-chloro-2-(3-imidazol-1-ylpropylamino)benzoate dihydrochloride Traditional Name: 4-chloro-2-(3-imidazol-1-ylpropylamino)benzoic acid isobutyl ester dihydrochloride Formula: C17H24Cl3N3O2 MolecularWeight: 408.75036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O2.2ClH/c1-13(2)11-23-17(22)15-5-4-14(18)10-16(15)20-6-3-8-21-9-7-19-12-21;;/h4-5,7,9-10,12-13,20H,3,6,8,11H2,1-2H3;2*1H