3-[2-(5-fluoranyl-2-oxidanyl-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 3-[2-(5-fluoranyl-2-oxidanyl-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(5-fluoro-2-hydroxy-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 3-[2-(5-fluoro-2-hydroxyphenyl)-1-cyclopentenyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(5-fluoro-2-hydroxy-phenyl)cyclopenten-1-yl]-5-propionamido-benzoic acid Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C21H20FNO4/c1-2-20(25)23-15-9-12(8-13(10-15)21(26)27)16-4-3-5-17(16)18-11-14(22)6-7-19(18)24/h6-11,24H,2-5H2,1H3,(H,23,25)(H,26,27)