4,6-bis(oxidanylidene)-5-phenethyl-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-phenethyl-1-[3-(trifluoromethyloxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 4,6-dioxo-5-phenethyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 4,6-dioxo-5-phenethyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 4,6-dioxo-5-phenethyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-phenethyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H19F3N2O5 MolecularWeight: 448.39187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2O5/c23-22(24,25)32-14-8-4-7-13(11-14)17-15-16(18(26-17)21(30)31)20(29)27(19(15)28)10-9-12-5-2-1-3-6-12/h1-8,11,15-18,26H,9-10H2,(H,30,31)