7-[3-[(6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]chromen-2-one hydrochloride

Systemtic Name: 7-[3-[(6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]chromen-2-one hydrochloride Openeye Name: 7-[3-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]chromen-2-one hydrochloride CAS Name: 7-[3-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]chromen-2-one hydrochloride Traditional Name: 7-[3-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]propoxy]coumarin hydrochloride Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2)O)CNCCCOC3=CC4=C(C=C3)C=CC(=O)O4.Cl

Isomeric SMILES

C1C(OC2=C(O1)C=CC(=C2)O)CNCCCOC3=CC4=C(C=C3)C=CC(=O)O4.Cl

InChI

InChI=1S/C21H21NO6.ClH/c23-15-4-6-18-20(10-15)27-17(13-26-18)12-22-8-1-9-25-16-5-2-14-3-7-21(24)28-19(14)11-16;/h2-7,10-11,17,22-23H,1,8-9,12-13H2;1H