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

Systemtic Name: 5-butyl-3-(cyclohexylmethyl)-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-(cyclohexylmethyl)-4,6-diketo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H31F3N2O4 MolecularWeight: 480.51985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C(F)(F)F)(CC4CCCCC4)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)C(F)(F)F)(CC4CCCCC4)C(=O)O

InChI

InChI=1S/C25H31F3N2O4/c1-2-3-12-30-21(31)18-19(22(30)32)24(23(33)34,14-15-8-5-4-6-9-15)29-20(18)16-10-7-11-17(13-16)25(26,27)28/h7,10-11,13,15,18-20,29H,2-6,8-9,12,14H2,1H3,(H,33,34)