7-[2-[(E)-2-(2-cyanophenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(2-cyanophenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(2-cyanophenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(2-cyanophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(2-cyanophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(2-cyanophenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC2=CC=CC=C2C#N)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1/C=C/C2=CC=CC=C2C#N)CCCCCCC(=O)O

InChI

InChI=1S/C21H25NO3/c22-15-18-8-6-5-7-16(18)11-12-17-13-14-20(23)19(17)9-3-1-2-4-10-21(24)25/h5-8,11-12,17,19H,1-4,9-10,13-14H2,(H,24,25)/b12-11+