4-(4-chloranyl-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)butanoic acid dihydrochloride

Systemtic Name: 4-(4-chloranyl-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)butanoic acid dihydrochloride Openeye Name: 4-(4-chloro-3-oxo-5-phenyl-isoxazol-2-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)butanoic acid dihydrochloride CAS Name: 4-(4-chloro-3-oxo-5-phenyl-2-isoxazolyl)-3-methoxy-2-(4-methyl-1-piperazinyl)butanoic acid dihydrochloride IUPAC Name: 4-(4-chloro-3-oxo-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)butanoic acid dihydrochloride Traditional Name: 4-(4-chloro-3-keto-5-phenyl-4-isoxazolin-2-yl)-3-methoxy-2-(4-methylpiperazino)butyric acid dihydrochloride Formula: C19H26Cl3N3O5 MolecularWeight: 482.78584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C(CN2C(=O)C(=C(O2)C3=CC=CC=C3)Cl)OC)C(=O)O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C(C(CN2C(=O)C(=C(O2)C3=CC=CC=C3)Cl)OC)C(=O)O.Cl.Cl

InChI

InChI=1S/C19H24ClN3O5.2ClH/c1-21-8-10-22(11-9-21)16(19(25)26)14(27-2)12-23-18(24)15(20)17(28-23)13-6-4-3-5-7-13;;/h3-7,14,16H,8-12H2,1-2H3,(H,25,26);2*1H