1-(1-benzofuran-2-yl)-5-butyl-3-methyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1-benzofuran-2-yl)-5-butyl-3-methyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(benzofuran-2-yl)-5-butyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-benzofuranyl)-5-butyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1-benzofuran-2-yl)-5-butyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(benzofuran-2-yl)-5-butyl-4,6-diketo-3-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC4=CC=CC=C4O3)(C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC4=CC=CC=C4O3)(C)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-3-4-9-22-17(23)14-15(18(22)24)20(2,19(25)26)21-16(14)13-10-11-7-5-6-8-12(11)27-13/h5-8,10,14-16,21H,3-4,9H2,1-2H3,(H,25,26)