bis[7-[1-(diethylamino)ethoxy]-2-benzofuran-1-yl]methanone hydrate dihydrochloride

Systemtic Name: bis[7-[1-(diethylamino)ethoxy]-2-benzofuran-1-yl]methanone hydrate dihydrochloride Openeye Name: bis[7-[1-(diethylamino)ethoxy]isobenzofuran-1-yl]methanone hydrate dihydrochloride CAS Name: bis[7-[1-(diethylamino)ethoxy]-1-isobenzofuranyl]methanone hydrate dihydrochloride IUPAC Name: bis[7-[1-(diethylamino)ethoxy]-2-benzofuran-1-yl]methanone hydrate dihydrochloride Traditional Name: bis[7-[1-(diethylamino)ethoxy]isobenzofuran-1-yl]methanone hydrate dihydrochloride Formula: C29H40Cl2N2O6 MolecularWeight: 583.5437

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)OC1=CC=CC2=COC(=C21)C(=O)C3=C4C(=CO3)C=CC=C4OC(C)N(CC)CC.O.Cl.Cl

Isomeric SMILES

CCN(CC)C(C)OC1=CC=CC2=COC(=C21)C(=O)C3=C4C(=CO3)C=CC=C4OC(C)N(CC)CC.O.Cl.Cl

InChI

InChI=1S/C29H36N2O5.2ClH.H2O/c1-7-30(8-2)19(5)35-23-15-11-13-21-17-33-28(25(21)23)27(32)29-26-22(18-34-29)14-12-16-24(26)36-20(6)31(9-3)10-4;;;/h11-20H,7-10H2,1-6H3;2*1H;1H2