3,5-dibutyl-4,6-bis(oxidanylidene)-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3,5-dibutyl-4,6-bis(oxidanylidene)-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3,5-dibutyl-4,6-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3,5-dibutyl-4,6-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3,5-dibutyl-4,6-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3,5-dibutyl-4,6-diketo-1-[4-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H27F3N2O4 MolecularWeight: 440.45599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O4/c1-3-5-11-21(20(30)31)16-15(18(28)27(19(16)29)12-6-4-2)17(26-21)13-7-9-14(10-8-13)22(23,24)25/h7-10,15-17,26H,3-6,11-12H2,1-2H3,(H,30,31)