7-[(1R,2S,3R)-3-cyano-2-(3-ethynyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2S,3R)-3-cyano-2-(3-ethynyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2S,3R)-3-cyano-2-(3-ethynyl-3-hydroxy-octyl)-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2S,3R)-3-cyano-2-(3-ethynyl-3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2S,3R)-3-cyano-2-(3-ethynyl-3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2S,3R)-2-(3-amyl-3-hydroxy-pent-4-ynyl)-3-cyano-5-keto-cyclopentyl]enanthic acid Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)C#N)(C#C)O

Isomeric SMILES

CCCCCC(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)C#N)(C#C)O

InChI

InChI=1S/C23H35NO4/c1-3-5-10-14-23(28,4-2)15-13-19-18(17-24)16-21(25)20(19)11-8-6-7-9-12-22(26)27/h2,18-20,28H,3,5-16H2,1H3,(H,26,27)/t18-,19-,20+,23?/m0/s1