1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C20H18F3NO4 MolecularWeight: 393.35643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H18F3NO4/c21-20(22,23)14-5-2-1-4-13(14)18(24-9-3-6-15(24)19(25)26)12-7-8-16-17(10-12)28-11-27-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2,(H,25,26)