3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propanoic acid

Systemtic Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propanoic acid Openeye Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propanoic acid CAS Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propanoic acid IUPAC Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propanoic acid Traditional Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propionic acid Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)/t18-/m0/s1