3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]propiolonitrile Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C20H25NO2/c1-2-3-4-5-6-8-18-15-22-20(23-16-18)19-12-10-17(11-13-19)9-7-14-21/h10-13,18,20H,2-6,8,15-16H2,1H3