3-[(4-butoxyphenyl)methylamino]propanenitrile

Systemtic Name: 3-[(4-butoxyphenyl)methylamino]propanenitrile Openeye Name: 3-[(4-butoxyphenyl)methylamino]propanenitrile CAS Name: 3-[(4-butoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(4-butoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(4-butoxybenzyl)amino]propionitrile Formula: C14H20N2O MolecularWeight: 232.3214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNCCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNCCC#N

InChI

InChI=1S/C14H20N2O/c1-2-3-11-17-14-7-5-13(6-8-14)12-16-10-4-9-15/h5-8,16H,2-4,10-12H2,1H3