3-[2-(3-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(3-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[2-[3-fluoro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenyl]propionic acid Formula: C21H19F4NO3 MolecularWeight: 409.374073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)CCC(=O)O)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)CCC(=O)O)F

InChI

InChI=1S/C21H19F4NO3/c22-18-11-14(4-7-16(18)20(29)26-9-1-2-10-26)17-12-15(21(23,24)25)6-3-13(17)5-8-19(27)28/h3-4,6-7,11-12H,1-2,5,8-10H2,(H,27,28)