3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]propanenitrile

Systemtic Name: 3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]propanenitrile Openeye Name: 3-[(3-ethoxy-4-hydroxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3-ethoxy-4-hydroxy-benzyl)amino]propionitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCC#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCC#N)O

InChI

InChI=1S/C12H16N2O2/c1-2-16-12-8-10(4-5-11(12)15)9-14-7-3-6-13/h4-5,8,14-15H,2-3,7,9H2,1H3