ethyl 2,4-bis(2-azanylpropan-2-yl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrate dihydrochloride

Systemtic Name: ethyl 2,4-bis(2-azanylpropan-2-yl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrate dihydrochloride Openeye Name: ethyl 2,4-bis(1-amino-1-methyl-ethyl)-5-hydroxy-benzofuran-3-carboxylate hydrate dihydrochloride CAS Name: 2,4-bis(2-aminopropan-2-yl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester hydrate dihydrochloride IUPAC Name: ethyl 2,4-bis(2-aminopropan-2-yl)-5-hydroxy-1-benzofuran-3-carboxylate hydrate dihydrochloride Traditional Name: 2,4-bis(1-amino-1-methyl-ethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester hydrate dihydrochloride Formula: C17H28Cl2N2O5 MolecularWeight: 411.32062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C(C)(C)N)C(C)(C)N.O.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C(C)(C)N)C(C)(C)N.O.Cl.Cl

InChI

InChI=1S/C17H24N2O4.2ClH.H2O/c1-6-22-15(21)12-11-10(23-14(12)17(4,5)19)8-7-9(20)13(11)16(2,3)18;;;/h7-8,20H,6,18-19H2,1-5H3;2*1H;1H2