(2S)-2-[4-chloranyl-2-(3-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]propanoic acid

Systemtic Name: (2S)-2-[4-chloranyl-2-(3-fluoranyl-4-pyrrolidin-1-ylcarbonyl-phenyl)phenoxy]propanoic acid Openeye Name: (2S)-2-[4-chloro-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propanoic acid CAS Name: (2S)-2-[4-chloro-2-[3-fluoro-4-[oxo(1-pyrrolidinyl)methyl]phenyl]phenoxy]propanoic acid IUPAC Name: (2S)-2-[4-chloro-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propanoic acid Traditional Name: (2S)-2-[4-chloro-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]phenoxy]propionic acid Formula: C20H19ClFNO4 MolecularWeight: 391.820563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C2=CC(=C(C=C2)C(=O)N3CCCC3)F

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)Cl)C2=CC(=C(C=C2)C(=O)N3CCCC3)F

InChI

InChI=1S/C20H19ClFNO4/c1-12(20(25)26)27-18-7-5-14(21)11-16(18)13-4-6-15(17(22)10-13)19(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,25,26)/t12-/m0/s1