7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-oxidanyl-3-oxidanylidene-heptanoic acid

Systemtic Name: 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-oxidanyl-3-oxidanylidene-heptanoic acid Openeye Name: 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-hydroxy-3-oxo-heptanoic acid CAS Name: 7-(2-cyano-4-methoxyphenyl)-5-cyclopentyl-5-hydroxy-3-oxoheptanoic acid IUPAC Name: 7-(2-cyano-4-methoxyphenyl)-5-cyclopentyl-5-hydroxy-3-oxoheptanoic acid Traditional Name: 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-hydroxy-3-keto-enanthic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC(CC(=O)CC(=O)O)(C2CCCC2)O)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)CCC(CC(=O)CC(=O)O)(C2CCCC2)O)C#N

InChI

InChI=1S/C20H25NO5/c1-26-18-7-6-14(15(10-18)13-21)8-9-20(25,16-4-2-3-5-16)12-17(22)11-19(23)24/h6-7,10,16,25H,2-5,8-9,11-12H2,1H3,(H,23,24)