3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propanenitrile

Systemtic Name: 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propanenitrile Openeye Name: 3-[2,6-bis(1,1-dimethylpropyl)phenoxy]propanenitrile CAS Name: 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propanenitrile IUPAC Name: 3-[2,6-bis(2-methylbutan-2-yl)phenoxy]propanenitrile Traditional Name: 3-(2,6-ditert-amylphenoxy)propionitrile Formula: C19H29NO MolecularWeight: 287.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO/c1-7-18(3,4)15-11-9-12-16(19(5,6)8-2)17(15)21-14-10-13-20/h9,11-12H,7-8,10,14H2,1-6H3