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

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]propanenitrile Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]propanenitrile CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanenitrile IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanenitrile Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]propionitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNCCC#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNCCC#N

InChI

InChI=1S/C12H16N2O/c1-9-6-11(7-10(2)12(9)15)8-14-5-3-4-13/h6-7,14-15H,3,5,8H2,1-2H3