1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-[4-(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=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO4/c21-20(22,23)14-6-3-12(4-7-14)18(24-9-1-2-15(24)19(25)26)13-5-8-16-17(10-13)28-11-27-16/h3-8,10,15,18H,1-2,9,11H2,(H,25,26)