bis[7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-benzofuran-1-yl]methanone dihydrochloride

Systemtic Name: bis[7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-benzofuran-1-yl]methanone dihydrochloride Openeye Name: bis[7-[2-hydroxy-3-(isopropylamino)propoxy]isobenzofuran-1-yl]methanone dihydrochloride CAS Name: bis[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-isobenzofuranyl]methanone dihydrochloride IUPAC Name: bis[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-benzofuran-1-yl]methanone dihydrochloride Traditional Name: bis[7-[2-hydroxy-3-(isopropylamino)propoxy]isobenzofuran-1-yl]methanone dihydrochloride Formula: C29H38Cl2N2O7 MolecularWeight: 597.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=COC(=C21)C(=O)C3=C4C(=CO3)C=CC=C4OCC(CNC(C)C)O)O.Cl.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=COC(=C21)C(=O)C3=C4C(=CO3)C=CC=C4OCC(CNC(C)C)O)O.Cl.Cl

InChI

InChI=1S/C29H36N2O7.2ClH/c1-17(2)30-11-21(32)15-35-23-9-5-7-19-13-37-28(25(19)23)27(34)29-26-20(14-38-29)8-6-10-24(26)36-16-22(33)12-31-18(3)4;;/h5-10,13-14,17-18,21-22,30-33H,11-12,15-16H2,1-4H3;2*1H