5-cyano-5-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 5-cyano-5-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 5-cyano-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-cyclohexanecarboxylic acid CAS Name: 5-cyano-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 5-cyano-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxocyclohexane-1-carboxylic acid Traditional Name: 5-cyano-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-keto-cyclohexanecarboxylic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C20H23NO5/c1-25-17-7-6-13(10-18(17)26-14-4-2-3-5-14)20(12-21)9-8-16(22)15(11-20)19(23)24/h6-7,10,14-15H,2-5,8-9,11H2,1H3,(H,23,24)