4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethynyl]cyclohexanecarboxylic acid CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethynyl]cyclohexanecarboxylic acid Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C26H29NO4/c1-30-23-7-6-21(18-24(23)31-22-4-2-3-5-22)26(13-8-19-11-16-27-17-12-19)14-9-20(10-15-26)25(28)29/h6-7,11-12,16-18,20,22H,2-5,9-10,14-15H2,1H3,(H,28,29)