6-cyano-6-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxaspiro[2.5]octane-1-carboxylic acid

Systemtic Name: 6-cyano-6-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxaspiro[2.5]octane-1-carboxylic acid Openeye Name: 6-cyano-6-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxaspiro[2.5]octane-1-carboxylic acid CAS Name: 6-cyano-6-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxaspiro[2.5]octane-1-carboxylic acid IUPAC Name: 6-cyano-6-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxaspiro[2.5]octane-1-carboxylic acid Traditional Name: 6-cyano-6-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxaspiro[2.5]octane-1-carboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC3(CC2)C(O3)C(=O)O)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC3(CC2)C(O3)C(=O)O)C#N)OC4CCCC4

InChI

InChI=1S/C21H25NO5/c1-25-16-7-6-14(12-17(16)26-15-4-2-3-5-15)20(13-22)8-10-21(11-9-20)18(27-21)19(23)24/h6-7,12,15,18H,2-5,8-11H2,1H3,(H,23,24)