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

Systemtic Name: 8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-4-(4-methoxyphenyl)-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-(4-methoxyphenyl)chromen-2-one hydrochloride CAS Name: 8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-(4-methoxyphenyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-(4-methoxyphenyl)chromen-2-one hydrochloride Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-[(veratrylamino)methyl]coumarin hydrochloride Formula: C26H26ClNO6 MolecularWeight: 483.94074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNCC4=CC(=C(C=C4)OC)OC)O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNCC4=CC(=C(C=C4)OC)OC)O.Cl

InChI

InChI=1S/C26H25NO6.ClH/c1-30-18-7-5-17(6-8-18)20-13-25(29)33-26-19(20)9-10-22(28)21(26)15-27-14-16-4-11-23(31-2)24(12-16)32-3;/h4-13,27-28H,14-15H2,1-3H3;1H