3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1-[3-(trifluoromethyloxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1-[3-(trifluoromethyloxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2-anilinoethyl)-3-(2-naphthylmethyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2-anilinoethyl)-3-(2-naphthalenylmethyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2-anilinoethyl)-3-(naphthalen-2-ylmethyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2-anilinoethyl)-4,6-diketo-3-(2-naphthylmethyl)-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C33H28F3N3O5 MolecularWeight: 603.58773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCN2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC(F)(F)F)(CC5=CC6=CC=CC=C6C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCCN2C(=O)C3C(C2=O)C(NC3C4=CC(=CC=C4)OC(F)(F)F)(CC5=CC6=CC=CC=C6C=C5)C(=O)O

InChI

InChI=1S/C33H28F3N3O5/c34-33(35,36)44-25-12-6-9-23(18-25)28-26-27(30(41)39(29(26)40)16-15-37-24-10-2-1-3-11-24)32(38-28,31(42)43)19-20-13-14-21-7-4-5-8-22(21)17-20/h1-14,17-18,26-28,37-38H,15-16,19H2,(H,42,43)