4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-4-ylethynyl)cyclohexan-1-ol

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-4-ylethynyl)cyclohexan-1-ol Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethynyl]cyclohexanol CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)-1-cyclohexanol IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)cyclohexan-1-ol Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethynyl]cyclohexanol Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3/c1-28-23-7-6-20(18-24(23)29-22-4-2-3-5-22)25(14-9-21(27)10-15-25)13-8-19-11-16-26-17-12-19/h6-7,11-12,16-18,21-22,27H,2-5,9-10,14-15H2,1H3