1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-cyclobutyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C23OCC(CO2)(C(O3)C#N)C4CCC4

Isomeric SMILES

C#CC1=CC=C(C=C1)C23OCC(CO2)(C(O3)C#N)C4CCC4

InChI

InChI=1S/C18H17NO3/c1-2-13-6-8-15(9-7-13)18-20-11-17(12-21-18,14-4-3-5-14)16(10-19)22-18/h1,6-9,14,16H,3-5,11-12H2