O1-tert-butyl O2-(phenylmethyl) (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(phenylmethyl) (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate Openeye Name: O2-benzyl O1-tert-butyl (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate CAS Name: (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-tert-butyl (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate Traditional Name: (2S)-4-(trifluoromethyl)-3-pyrroline-1,2-dicarboxylic acid O2-benzyl ester O1-tert-butyl ester Formula: C18H20F3NO4 MolecularWeight: 371.35091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC1C(=O)OCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=C[C@H]1C(=O)OCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3NO4/c1-17(2,3)26-16(24)22-10-13(18(19,20)21)9-14(22)15(23)25-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1