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

Systemtic Name: 8-[[(3,4-dimethoxyphenyl)amino]methyl]-4-(4-methoxyphenyl)-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 8-[(3,4-dimethoxyanilino)methyl]-7-hydroxy-4-(4-methoxyphenyl)chromen-2-one hydrochloride CAS Name: 8-[(3,4-dimethoxyanilino)methyl]-7-hydroxy-4-(4-methoxyphenyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[(3,4-dimethoxyanilino)methyl]-7-hydroxy-4-(4-methoxyphenyl)chromen-2-one hydrochloride Traditional Name: 8-[(3,4-dimethoxyanilino)methyl]-7-hydroxy-4-(4-methoxyphenyl)coumarin hydrochloride Formula: C25H24ClNO6 MolecularWeight: 469.91416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNC4=CC(=C(C=C4)OC)OC)O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNC4=CC(=C(C=C4)OC)OC)O.Cl

InChI

InChI=1S/C25H23NO6.ClH/c1-29-17-7-4-15(5-8-17)19-13-24(28)32-25-18(19)9-10-21(27)20(25)14-26-16-6-11-22(30-2)23(12-16)31-3;/h4-13,26-27H,14H2,1-3H3;1H