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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methoxyethylamino)methyl]-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methoxyethylamino)methyl]chromen-2-one hydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methoxyethylamino)methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methoxyethylamino)methyl]chromen-2-one hydrochloride Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methoxyethylamino)methyl]coumarin hydrochloride Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)O.Cl

Isomeric SMILES

COCCNCC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)O.Cl

InChI

InChI=1S/C21H23NO6.ClH/c1-25-9-8-22-12-16-17(23)6-4-14-10-15(21(24)28-20(14)16)13-5-7-18(26-2)19(11-13)27-3;/h4-7,10-11,22-23H,8-9,12H2,1-3H3;1H