2-[1-(3,4-diethoxyphenyl)-3-oxidanyl-propyl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-oxidanyl-propyl]-3H-isoindol-1-one Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxy-propyl]isoindolin-1-one CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxypropyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxypropyl]-3H-isoindol-1-one Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxy-propyl]isoindolin-1-one Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCO)N2CC3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCO)N2CC3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C21H25NO4/c1-3-25-19-10-9-15(13-20(19)26-4-2)18(11-12-23)22-14-16-7-5-6-8-17(16)21(22)24/h5-10,13,18,23H,3-4,11-12,14H2,1-2H3