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

Systemtic Name: 5-tert-butyl-3-(carboxymethyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-3-(carboxymethyl)-4,6-diketo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H25F3N2O7 MolecularWeight: 534.48111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)OC4=CC=CC(=C4)C(F)(F)F)(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)OC4=CC=CC(=C4)C(F)(F)F)(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H25F3N2O7/c1-24(2,3)31-21(34)18-19(22(31)35)25(23(36)37,12-17(32)33)30-20(18)13-6-4-8-15(10-13)38-16-9-5-7-14(11-16)26(27,28)29/h4-11,18-20,30H,12H2,1-3H3,(H,32,33)(H,36,37)