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

Systemtic Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-4,6-dioxo-3-sec-butyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-4,6-diketo-3-sec-butyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C34H35F3N2O5 MolecularWeight: 608.64731

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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)OC5=CC=CC(=C5)C(F)(F)F)(C(C)CC)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC5=CC=CC(=C5)C(F)(F)F)(C(C)CC)C(=O)O

InChI

InChI=1S/C34H35F3N2O5/c1-5-19(4)33(32(42)43)27-26(30(40)39(31(27)41)29-20(6-2)11-8-12-21(29)7-3)28(38-33)22-13-9-15-24(17-22)44-25-16-10-14-23(18-25)34(35,36)37/h8-19,26-28,38H,5-7H2,1-4H3,(H,42,43)