2-[4-[3-(methylamino)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-(methylamino)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(methylamino)propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(methylamino)propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(methylamino)propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-(methylamino)propoxy]phenyl]acetonitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(COC1=CC=C(C=C1)CC#N)O

Isomeric SMILES

CNCC(COC1=CC=C(C=C1)CC#N)O

InChI

InChI=1S/C12H16N2O2/c1-14-8-11(15)9-16-12-4-2-10(3-5-12)6-7-13/h2-5,11,14-15H,6,8-9H2,1H3