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

Systemtic Name: 3-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-butyl-1,3-dioxan-2-yl)phenyl]propiolonitrile Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCC1COC(OC1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C17H19NO2/c1-2-3-5-15-12-19-17(20-13-15)16-9-7-14(8-10-16)6-4-11-18/h7-10,15,17H,2-3,5,12-13H2,1H3