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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

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