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

Systemtic Name: 1-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid Openeye Name: 1-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 1-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid Traditional Name: 1-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(CC2)(C#N)C(=O)O)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(CC2)(C#N)C(=O)O)OC3CCCC3

InChI

InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)14-8-10-20(13-21,11-9-14)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)