3-(3,4-dimethoxyphenyl)-8-[(2-hydroxyethylamino)methyl]-7-oxidanyl-chromen-4-one hydrochloride

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(2-hydroxyethylamino)methyl]-7-oxidanyl-chromen-4-one hydrochloride Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-hydroxyethylamino)methyl]chromen-4-one hydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-hydroxyethylamino)methyl]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-hydroxyethylamino)methyl]chromen-4-one hydrochloride Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-hydroxyethylamino)methyl]chromone hydrochloride Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3CNCCO)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3CNCCO)O)OC.Cl

InChI

InChI=1S/C20H21NO6.ClH/c1-25-17-6-3-12(9-18(17)26-2)15-11-27-20-13(19(15)24)4-5-16(23)14(20)10-21-7-8-22;/h3-6,9,11,21-23H,7-8,10H2,1-2H3;1H