3-[2,3-bis(oxidanyl)propyl-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl(2,3-dihydroxypropyl)amino]propanenitrile CAS Name: 3-[2,3-dihydroxypropyl-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl(2,3-dihydroxypropyl)amino]propanenitrile Traditional Name: 3-[benzyl(glyceryl)amino]propionitrile Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c14-7-4-8-15(10-13(17)11-16)9-12-5-2-1-3-6-12/h1-3,5-6,13,16-17H,4,8-11H2