3-[(5-butoxy-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[(5-butoxy-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(5-butoxy-2-hydroxy-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(5-butoxy-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(5-butoxy-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(5-butoxy-2-hydroxy-benzyl)-(2-cyanoethyl)amino]propionitrile Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)O)CN(CCC#N)CCC#N

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)O)CN(CCC#N)CCC#N

InChI

InChI=1S/C17H23N3O2/c1-2-3-12-22-16-6-7-17(21)15(13-16)14-20(10-4-8-18)11-5-9-19/h6-7,13,21H,2-5,10-12,14H2,1H3