2-[4-chloranyl-2-[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)phenyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[4-[oxo(1-pyrrolidinyl)methyl]-3-(trifluoromethyl)phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)phenyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)phenyl]phenoxy]acetic acid Formula: C20H17ClF3NO4 MolecularWeight: 427.80149

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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)Cl)OCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)Cl)OCC(=O)O)C(F)(F)F

InChI

InChI=1S/C20H17ClF3NO4/c21-13-4-6-17(29-11-18(26)27)15(10-13)12-3-5-14(16(9-12)20(22,23)24)19(28)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11H2,(H,26,27)