3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]propanenitrile

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]propanenitrile Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-benzyl)amino]propionitrile Formula: C18H28N2O MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCCC#N

InChI

InChI=1S/C18H28N2O/c1-17(2,3)14-10-13(12-20-9-7-8-19)11-15(16(14)21)18(4,5)6/h10-11,20-21H,7,9,12H2,1-6H3