4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-1-[3-(trifluoromethyloxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-1-[3-(trifluoromethyloxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 4,6-dioxo-5-[2-(2-pyridyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 4,6-dioxo-5-[2-(2-pyridinyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 4,6-dioxo-5-(2-pyridin-2-ylethyl)-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-[2-(2-pyridyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H18F3N3O5 MolecularWeight: 449.37993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C21H18F3N3O5/c22-21(23,24)32-13-6-3-4-11(10-13)16-14-15(17(26-16)20(30)31)19(29)27(18(14)28)9-7-12-5-1-2-8-25-12/h1-6,8,10,14-17,26H,7,9H2,(H,30,31)