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

Systemtic Name: 3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]propanenitrile Openeye Name: 3-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]propionitrile Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNCCC#N

InChI

InChI=1S/C12H16N2O3/c1-16-10-6-9(8-14-5-3-4-13)7-11(17-2)12(10)15/h6-7,14-15H,3,5,8H2,1-2H3