5,6-dimethoxy-2-(3-oxidanylpropyl)-3H-isoindol-1-one

Systemtic Name: 5,6-dimethoxy-2-(3-oxidanylpropyl)-3H-isoindol-1-one Openeye Name: 2-(3-hydroxypropyl)-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-(3-hydroxypropyl)-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-(3-hydroxypropyl)-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-(3-hydroxypropyl)-5,6-dimethoxy-isoindolin-1-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CCCO)OC

InChI

InChI=1S/C13H17NO4/c1-17-11-6-9-8-14(4-3-5-15)13(16)10(9)7-12(11)18-2/h6-7,15H,3-5,8H2,1-2H3