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

Systemtic Name: 3-butyl-5-tert-butyl-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-butyl-5-tert-butyl-4,6-diketo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2C(C(N1)C3=CC=CC=N3)C(=O)N(C2=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1(C2C(C(N1)C3=CC=CC=N3)C(=O)N(C2=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C20H27N3O4/c1-5-6-10-20(18(26)27)14-13(15(22-20)12-9-7-8-11-21-12)16(24)23(17(14)25)19(2,3)4/h7-9,11,13-15,22H,5-6,10H2,1-4H3,(H,26,27)