4-heptyl-1-[2-(6-methylpyridin-3-yl)ethynyl]cyclohexan-1-ol

Systemtic Name: 4-heptyl-1-[2-(6-methylpyridin-3-yl)ethynyl]cyclohexan-1-ol Openeye Name: 4-heptyl-1-[2-(6-methyl-3-pyridyl)ethynyl]cyclohexanol CAS Name: 4-heptyl-1-[2-(6-methyl-3-pyridinyl)ethynyl]-1-cyclohexanol IUPAC Name: 4-heptyl-1-[2-(6-methylpyridin-3-yl)ethynyl]cyclohexan-1-ol Traditional Name: 4-heptyl-1-[2-(6-methyl-3-pyridyl)ethynyl]cyclohexanol Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)(C#CC2=CN=C(C=C2)C)O

Isomeric SMILES

CCCCCCCC1CCC(CC1)(C#CC2=CN=C(C=C2)C)O

InChI

InChI=1S/C21H31NO/c1-3-4-5-6-7-8-19-11-14-21(23,15-12-19)16-13-20-10-9-18(2)22-17-20/h9-10,17,19,23H,3-8,11-12,14-15H2,1-2H3