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

Systemtic Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanenitrile Openeye Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]pentanenitrile CAS Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanenitrile IUPAC Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanenitrile Traditional Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]valeronitrile Formula: C19H29NO MolecularWeight: 287.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCC(CC#N)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C19H29NO/c1-7-16(12-13-20)21-17-10-8-15(9-11-17)19(5,6)14-18(2,3)4/h8-11,16H,7,12,14H2,1-6H3