3-cyano-4-[4-methoxy-3-(3-oxidanylcyclopentyl)oxy-phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-cyano-4-[4-methoxy-3-(3-oxidanylcyclopentyl)oxy-phenyl]cyclohexane-1-carboxylic acid Openeye Name: 3-cyano-4-[3-(3-hydroxycyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 3-cyano-4-[3-(3-hydroxycyclopentyl)oxy-4-methoxyphenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-cyano-4-[3-(3-hydroxycyclopentyl)oxy-4-methoxyphenyl]cyclohexane-1-carboxylic acid Traditional Name: 3-cyano-4-[3-(3-hydroxycyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(CC2C#N)C(=O)O)OC3CCC(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(CC2C#N)C(=O)O)OC3CCC(C3)O

InChI

InChI=1S/C20H25NO5/c1-25-18-7-3-12(9-19(18)26-16-5-4-15(22)10-16)17-6-2-13(20(23)24)8-14(17)11-21/h3,7,9,13-17,22H,2,4-6,8,10H2,1H3,(H,23,24)