3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)isochromen-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)isochromen-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[2-(3-pyridyl)ethynyl]isochromen-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[2-(3-pyridinyl)ethynyl]-2-benzopyran-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)isochromen-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[2-(3-pyridyl)ethynyl]isocoumarin Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C#CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C#CC4=CN=CC=C4)OC

InChI

InChI=1S/C26H21NO6/c1-29-18-10-17(11-19(12-18)30-2)25-20(8-7-16-6-5-9-27-15-16)21-13-23(31-3)24(32-4)14-22(21)26(28)33-25/h5-6,9-15H,1-4H3