5-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanyl-phenyl]-2,3-dihydropyran-6-one

Systemtic Name: 5-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanyl-phenyl]-2,3-dihydropyran-6-one Openeye Name: 5-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxy-phenyl]-2,3-dihydropyran-6-one CAS Name: 5-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxyphenyl]-2,3-dihydropyran-6-one IUPAC Name: 5-[2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxyphenyl]-2,3-dihydropyran-6-one Traditional Name: 5-(2-homopiperonyl-4-hydroxy-phenyl)-2,3-dihydropyran-6-one Formula: C20H18O5 MolecularWeight: 338.35392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(=C1)C2=C(C=C(C=C2)O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(=O)C(=C1)C2=C(C=C(C=C2)O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18O5/c21-15-6-7-16(17-2-1-9-23-20(17)22)14(11-15)5-3-13-4-8-18-19(10-13)25-12-24-18/h2,4,6-8,10-11,21H,1,3,5,9,12H2