[(1S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexyl]methanol

Systemtic Name: [(1S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexyl]methanol Openeye Name: [(1S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexyl]methanol CAS Name: [(1S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)cyclohexyl]methanol IUPAC Name: [(1S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)cyclohexyl]methanol Traditional Name: [(1S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexyl]methanol Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(C2)CO)C#CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]2(CCC[C@@H](C2)CO)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C26H31NO3/c1-29-24-9-8-22(17-25(24)30-23-6-2-3-7-23)26(13-4-5-21(18-26)19-28)14-10-20-11-15-27-16-12-20/h8-9,11-12,15-17,21,23,28H,2-7,13,18-19H2,1H3/t21-,26-/m0/s1