4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[2-(2,6-dimethylpyridin-3-yl)ethynyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-[2-(2,6-dimethylpyridin-3-yl)ethynyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(2,6-dimethyl-3-pyridyl)ethynyl]cyclohexanecarboxylic acid CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(2,6-dimethylpyridin-3-yl)ethynyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(2,6-dimethyl-3-pyridyl)ethynyl]cyclohexanecarboxylic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#CC2(CCC(CC2)C(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#CC2(CCC(CC2)C(=O)O)C3=CC(=C(C=C3)OC)OC4CCCC4)C

InChI

InChI=1S/C28H33NO4/c1-19-8-9-21(20(2)29-19)12-15-28(16-13-22(14-17-28)27(30)31)23-10-11-25(32-3)26(18-23)33-24-6-4-5-7-24/h8-11,18,22,24H,4-7,13-14,16-17H2,1-3H3,(H,30,31)