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

Systemtic Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-diketo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H35F3N2O4 MolecularWeight: 556.61581

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)C(F)(F)F)(CC5CCCCC5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)C(F)(F)F)(CC5CCCCC5)C(=O)O

InChI

InChI=1S/C31H35F3N2O4/c1-3-19-12-8-13-20(4-2)26(19)36-27(37)23-24(28(36)38)30(29(39)40,17-18-10-6-5-7-11-18)35-25(23)21-14-9-15-22(16-21)31(32,33)34/h8-9,12-16,18,23-25,35H,3-7,10-11,17H2,1-2H3,(H,39,40)