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

Systemtic Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-(2-pyridin-3-ylethynyl)isochromen-1-one Openeye Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-[2-(3-pyridyl)ethynyl]isochromen-1-one CAS Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-[2-(3-pyridinyl)ethynyl]-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-(2-pyridin-3-ylethynyl)isochromen-1-one Traditional Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-4-[2-(3-pyridyl)ethynyl]isocoumarin Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO5/c1-28-18-9-7-17(8-10-18)24-19(11-6-16-5-4-12-26-15-16)20-13-22(29-2)23(30-3)14-21(20)25(27)31-24/h4-5,7-10,12-15H,1-3H3