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

Systemtic Name: 2-[(1R,2R,3S)-3-cyano-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 2-[(1R,2R,3S)-3-cyano-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-[(1R,2R,3S)-3-cyano-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-[(1R,2R,3S)-3-cyano-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 2-[(1R,2R,3S)-3-cyano-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1C(C(CC1=O)C#N)C=CC(C)(CCCCC)O)C(=O)O

Isomeric SMILES

CCCCCC([C@H]1[C@@H]([C@H](CC1=O)C#N)/C=C/C(C)(CCCCC)O)C(=O)O

InChI

InChI=1S/C22H35NO4/c1-4-6-8-10-18(21(25)26)20-17(16(15-23)14-19(20)24)11-13-22(3,27)12-9-7-5-2/h11,13,16-18,20,27H,4-10,12,14H2,1-3H3,(H,25,26)/b13-11+/t16-,17-,18?,20-,22?/m1/s1