2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C=CCC(C2C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2C=CCC(C2C1=O)C

InChI

InChI=1S/C13H19NO2/c1-3-4-8-14-12(15)10-7-5-6-9(2)11(10)13(14)16/h5,7,9-11H,3-4,6,8H2,1-2H3