3-(cyclohexylmethyl)-5-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-5-(4-ethylphenyl)-4,6-diketo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H31F3N2O4 MolecularWeight: 528.56265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31F3N2O4/c1-2-17-11-13-21(14-12-17)34-25(35)22-23(26(34)36)28(27(37)38,16-18-7-4-3-5-8-18)33-24(22)19-9-6-10-20(15-19)29(30,31)32/h6,9-15,18,22-24,33H,2-5,7-8,16H2,1H3,(H,37,38)