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

Systemtic Name: 5-(4-ethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-ethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-ethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-ethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-ethylphenyl)-3-(4-hydroxybenzyl)-4,6-diketo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H25F3N2O5 MolecularWeight: 538.51441

Click to see the large picture

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

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)C(F)(F)F)(CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C29H25F3N2O5/c1-2-16-6-10-20(11-7-16)34-25(36)22-23(26(34)37)28(27(38)39,15-17-8-12-21(35)13-9-17)33-24(22)18-4-3-5-19(14-18)29(30,31)32/h3-14,22-24,33,35H,2,15H2,1H3,(H,38,39)