2-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(3-acetylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(3-acetylphenoxy)-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN2C(=O)C3CC=CCC3C2=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN2C(=O)C3CC=CCC3C2=O)O

InChI

InChI=1S/C19H21NO5/c1-12(21)13-5-4-6-15(9-13)25-11-14(22)10-20-18(23)16-7-2-3-8-17(16)19(20)24/h2-6,9,14,16-17,22H,7-8,10-11H2,1H3