4-cyano-4-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]cyclohexanecarboxylic acid CAS Name: 4-cyano-4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-benzyl]cyclohexanecarboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(CCC(CC2)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(CCC(CC2)C(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C21H27NO4/c1-25-18-7-6-15(12-19(18)26-17-4-2-3-5-17)13-21(14-22)10-8-16(9-11-21)20(23)24/h6-7,12,16-17H,2-5,8-11,13H2,1H3,(H,23,24)