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

Systemtic Name: 2-[3-(4-methylphenoxy)-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(4-methylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-12-6-8-14(9-7-12)23-11-13(20)10-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-3,6-9,13,15-16,20H,4-5,10-11H2,1H3