4-[2-(4-cyano-3-fluoranyl-phenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[2-(4-cyano-3-fluoranyl-phenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[2-(4-cyano-3-fluoro-phenyl)pyrrol-1-yl]butanoic acid CAS Name: 4-[2-(4-cyano-3-fluorophenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[2-(4-cyano-3-fluorophenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[2-(4-cyano-3-fluoro-phenyl)pyrrol-1-yl]butyric acid Formula: C15H13FN2O2 MolecularWeight: 272.274323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C2=CC(=C(C=C2)C#N)F)CCCC(=O)O

Isomeric SMILES

C1=CN(C(=C1)C2=CC(=C(C=C2)C#N)F)CCCC(=O)O

InChI

InChI=1S/C15H13FN2O2/c16-13-9-11(5-6-12(13)10-17)14-3-1-7-18(14)8-2-4-15(19)20/h1,3,5-7,9H,2,4,8H2,(H,19,20)