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

Systemtic Name: 5-tert-butyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-5-tert-butyl-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-4,6-dioxo-3-(phenylmethyl)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-5-tert-butyl-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-5-tert-butyl-4,6-diketo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H29F3N2O5 MolecularWeight: 566.56757

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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)(CC5=CC=CC=C5)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)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H29F3N2O5/c1-29(2,3)36-26(37)23-24(27(36)38)30(28(39)40,17-18-9-5-4-6-10-18)35-25(23)19-11-7-13-21(15-19)41-22-14-8-12-20(16-22)31(32,33)34/h4-16,23-25,35H,17H2,1-3H3,(H,39,40)