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

Systemtic Name: 3-[2-(5-fluoranyl-2-methoxy-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(5-fluoro-2-methoxy-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 3-[2-(5-fluoro-2-methoxyphenyl)-1-cyclopentenyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-[2-(5-fluoro-2-methoxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(5-fluoro-2-methoxy-phenyl)cyclopenten-1-yl]-5-propionamido-benzoic acid Formula: C22H22FNO4 MolecularWeight: 383.412783

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4/c1-3-21(25)24-16-10-13(9-14(11-16)22(26)27)17-5-4-6-18(17)19-12-15(23)7-8-20(19)28-2/h7-12H,3-6H2,1-2H3,(H,24,25)(H,26,27)