(2S)-2-[2-(5-cyano-2-fluoranyl-phenyl)-4-methyl-phenoxy]propanoic acid

Systemtic Name: (2S)-2-[2-(5-cyano-2-fluoranyl-phenyl)-4-methyl-phenoxy]propanoic acid Openeye Name: (2S)-2-[2-(5-cyano-2-fluoro-phenyl)-4-methyl-phenoxy]propanoic acid CAS Name: (2S)-2-[2-(5-cyano-2-fluorophenyl)-4-methylphenoxy]propanoic acid IUPAC Name: (2S)-2-[2-(5-cyano-2-fluorophenyl)-4-methylphenoxy]propanoic acid Traditional Name: (2S)-2-[2-(5-cyano-2-fluoro-phenyl)-4-methyl-phenoxy]propionic acid Formula: C17H14FNO3 MolecularWeight: 299.296363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)O)C2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@@H](C)C(=O)O)C2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C17H14FNO3/c1-10-3-6-16(22-11(2)17(20)21)14(7-10)13-8-12(9-19)4-5-15(13)18/h3-8,11H,1-2H3,(H,20,21)/t11-/m0/s1