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

Systemtic Name: 2-[2-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-4-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-[2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-[2-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-[2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-[2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H20F3NO4/c1-13-10-14(4-6-16(13)20(28)25-8-2-3-9-25)17-11-15(21(22,23)24)5-7-18(17)29-12-19(26)27/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)