7-[(1R,2S)-3-cyano-5-oxidanylidene-2-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2S)-3-cyano-5-oxidanylidene-2-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2S)-3-cyano-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2S)-3-cyano-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2S)-3-cyano-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2S)-3-cyano-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)C#N)O

Isomeric SMILES

CCCCC[C@H](/C=C/[C@@H]1[C@H](C(=O)CC1C#N)CCCCCCC(=O)O)O

InChI

InChI=1S/C21H33NO4/c1-2-3-6-9-17(23)12-13-18-16(15-22)14-20(24)19(18)10-7-4-5-8-11-21(25)26/h12-13,16-19,23H,2-11,14H2,1H3,(H,25,26)/b13-12+/t16?,17-,18+,19-/m1/s1