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

Systemtic Name: 2-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C(=O)C3CC=CCC3C2=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C(=O)C3CC=CCC3C2=O)O

InChI

InChI=1S/C19H23NO4/c1-2-13-7-9-15(10-8-13)24-12-14(21)11-20-18(22)16-5-3-4-6-17(16)19(20)23/h3-4,7-10,14,16-17,21H,2,5-6,11-12H2,1H3