dimethyl (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylate

Systemtic Name: dimethyl (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylate Openeye Name: dimethyl (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylate CAS Name: (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylate Traditional Name: (2R,5S)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrroline-2,4-dicarboxylic acid dimethyl ester Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(NC1C2=CC=C(C=C2)C(F)(F)F)(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C[C@@](N[C@H]1C2=CC=C(C=C2)C(F)(F)F)(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18F3NO4/c1-28-18(26)16-12-20(19(27)29-2,14-6-4-3-5-7-14)25-17(16)13-8-10-15(11-9-13)21(22,23)24/h3-12,17,25H,1-2H3/t17-,20+/m0/s1