(4E)-1-phenylmethoxycarbonyl-4-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine-2-carboxylic acid

Systemtic Name: (4E)-1-phenylmethoxycarbonyl-4-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine-2-carboxylic acid Openeye Name: (4E)-1-benzyloxycarbonyl-4-[[3-(trifluoromethyl)phenyl]methylene]pyrrolidine-2-carboxylic acid CAS Name: (4E)-1-phenylmethoxycarbonyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-2-pyrrolidinecarboxylic acid IUPAC Name: (4E)-1-phenylmethoxycarbonyl-4-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine-2-carboxylic acid Traditional Name: (4E)-1-carbobenzoxy-4-[3-(trifluoromethyl)benzylidene]proline Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1=CC2=CC(=CC=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C\1C(N(C/C1=C/C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18F3NO4/c22-21(23,24)17-8-4-7-15(10-17)9-16-11-18(19(26)27)25(12-16)20(28)29-13-14-5-2-1-3-6-14/h1-10,18H,11-13H2,(H,26,27)/b16-9+