7-[(1R,2S,3R)-3-cyano-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2S,3R)-3-cyano-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2S,3R)-3-cyano-5-hydroxy-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2S,3R)-3-cyano-5-hydroxy-2-[(E)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2S,3R)-3-cyano-5-hydroxy-2-[(E)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2S,3R)-3-cyano-5-hydroxy-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]cyclopentyl]enanthic acid Formula: C22H37NO4 MolecularWeight: 379.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4/c1-3-4-9-13-22(2,27)14-12-18-17(16-23)15-20(24)19(18)10-7-5-6-8-11-21(25)26/h12,14,17-20,24,27H,3-11,13,15H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+,20?,22?/m0/s1