3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile

Systemtic Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Openeye Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propanenitrile CAS Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile IUPAC Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Traditional Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propionitrile Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCC#N

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCC#N

InChI

InChI=1S/C17H25NO/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)19-12-6-11-18/h7-10H,6,12-13H2,1-5H3