2-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6-tetrahydroisoindol-2-yl]hexanoic acid

Systemtic Name: 2-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6-tetrahydroisoindol-2-yl]hexanoic acid Openeye Name: 2-(5-methyl-1,3-dioxo-3a,4,5,6-tetrahydroisoindol-2-yl)hexanoic acid CAS Name: 2-(5-methyl-1,3-dioxo-3a,4,5,6-tetrahydroisoindol-2-yl)hexanoic acid IUPAC Name: 2-(5-methyl-1,3-dioxo-3a,4,5,6-tetrahydroisoindol-2-yl)hexanoic acid Traditional Name: 2-(1,3-diketo-5-methyl-3a,4,5,6-tetrahydroisoindol-2-yl)hexanoic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=O)C2CC(CC=C2C1=O)C

Isomeric SMILES

CCCCC(C(=O)O)N1C(=O)C2CC(CC=C2C1=O)C

InChI

InChI=1S/C15H21NO4/c1-3-4-5-12(15(19)20)16-13(17)10-7-6-9(2)8-11(10)14(16)18/h7,9,11-12H,3-6,8H2,1-2H3,(H,19,20)