7-[2-[(E)-2-(4-fluoranyl-3-methyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(4-fluoranyl-3-methyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(4-fluoro-3-methyl-phenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(4-fluoro-3-methyl-phenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H27FO3 MolecularWeight: 346.435683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC2CCC(=O)C2CCCCCCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C2CCC(=O)C2CCCCCCC(=O)O)F

InChI

InChI=1S/C21H27FO3/c1-15-14-16(9-12-19(15)22)8-10-17-11-13-20(23)18(17)6-4-2-3-5-7-21(24)25/h8-10,12,14,17-18H,2-7,11,13H2,1H3,(H,24,25)/b10-8+