2-[3-[(3-oxidanylpropylamino)methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(3-oxidanylpropylamino)methyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[(3-hydroxypropylamino)methyl]phenoxy]acetonitrile CAS Name: 2-[3-[(3-hydroxypropylamino)methyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[(3-hydroxypropylamino)methyl]phenoxy]acetonitrile Traditional Name: 2-[3-[(3-hydroxypropylamino)methyl]phenoxy]acetonitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC#N)CNCCCO

Isomeric SMILES

C1=CC(=CC(=C1)OCC#N)CNCCCO

InChI

InChI=1S/C12H16N2O2/c13-5-8-16-12-4-1-3-11(9-12)10-14-6-2-7-15/h1,3-4,9,14-15H,2,6-8,10H2