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

Systemtic Name: 7-[3-[(6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propoxy]chromen-2-one hydrochloride Openeye Name: 7-[3-[(6-benzyloxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propoxy]chromen-2-one hydrochloride CAS Name: 7-[3-[(6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[(6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propoxy]chromen-2-one hydrochloride Traditional Name: 7-[3-[(6-benzoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propoxy]coumarin hydrochloride Formula: C28H28ClNO6 MolecularWeight: 509.97802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)CNCCCOC4=CC5=C(C=C4)C=CC(=O)O5.Cl

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)CNCCCOC4=CC5=C(C=C4)C=CC(=O)O5.Cl

InChI

InChI=1S/C28H27NO6.ClH/c30-28-12-8-21-7-9-22(15-26(21)35-28)31-14-4-13-29-17-24-19-33-27-16-23(10-11-25(27)34-24)32-18-20-5-2-1-3-6-20;/h1-3,5-12,15-16,24,29H,4,13-14,17-19H2;1H