7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one

Systemtic Name: 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one Openeye Name: 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one CAS Name: 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)-2-benzopyran-1-one IUPAC Name: 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one Traditional Name: 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)isocoumarin Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO)OC

InChI

InChI=1S/C22H20O5/c1-25-19-10-16(11-20(14-19)26-2)6-5-15-7-8-17-13-18(4-3-9-23)27-22(24)21(17)12-15/h7-8,10-14,23H,3-4,9H2,1-2H3