3-[2,3-bis(oxidanyl)propyl-(1-phenylethyl)amino]propanenitrile

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-(1-phenylethyl)amino]propanenitrile Openeye Name: 3-[2,3-dihydroxypropyl(1-phenylethyl)amino]propanenitrile CAS Name: 3-[2,3-dihydroxypropyl(1-phenylethyl)amino]propanenitrile IUPAC Name: 3-[2,3-dihydroxypropyl(1-phenylethyl)amino]propanenitrile Traditional Name: 3-[glyceryl(1-phenylethyl)amino]propionitrile Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-12(13-6-3-2-4-7-13)16(9-5-8-15)10-14(18)11-17/h2-4,6-7,12,14,17-18H,5,9-11H2,1H3