3-[4-(4-hexoxyphenyl)cyclohexyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(4-hexoxyphenyl)cyclohexyl]prop-2-ynenitrile Openeye Name: 3-[4-(4-hexoxyphenyl)cyclohexyl]prop-2-ynenitrile CAS Name: 3-[4-(4-hexoxyphenyl)cyclohexyl]-2-propynenitrile IUPAC Name: 3-[4-(4-hexoxyphenyl)cyclohexyl]prop-2-ynenitrile Traditional Name: 3-[4-(4-hexoxyphenyl)cyclohexyl]propiolonitrile Formula: C21H27NO MolecularWeight: 309.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C#CC#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C#CC#N

InChI

InChI=1S/C21H27NO/c1-2-3-4-5-17-23-21-14-12-20(13-15-21)19-10-8-18(9-11-19)7-6-16-22/h12-15,18-19H,2-5,8-11,17H2,1H3