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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=CC=N3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#CC3=CC=CC=N3)OC4CCCC4

InChI

InChI=1S/C26H29NO4/c1-30-23-10-9-20(18-24(23)31-22-7-2-3-8-22)26(14-11-19(12-15-26)25(28)29)16-13-21-6-4-5-17-27-21/h4-6,9-10,17-19,22H,2-3,7-8,11-12,14-15H2,1H3,(H,28,29)