2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(2,5-dimethylphenoxy)-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:

CC1=CC(=C(C=C1)C)OCC(CN2C(=O)C3CC=CCC3C2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2C(=O)C3CC=CCC3C2=O)O

InChI

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