3-butan-2-yl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-butan-2-yl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(o-tolyl)-4,6-dioxo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-diketo-5-(o-tolyl)-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C2C(C(N1)C3=CC4=C(C=C3)OCCO4)C(=O)N(C2=O)C5=CC=CC=C5C)C(=O)O

Isomeric SMILES

CCC(C)C1(C2C(C(N1)C3=CC4=C(C=C3)OCCO4)C(=O)N(C2=O)C5=CC=CC=C5C)C(=O)O

InChI

InChI=1S/C26H28N2O6/c1-4-15(3)26(25(31)32)21-20(23(29)28(24(21)30)17-8-6-5-7-14(17)2)22(27-26)16-9-10-18-19(13-16)34-12-11-33-18/h5-10,13,15,20-22,27H,4,11-12H2,1-3H3,(H,31,32)