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

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-(phenylmethyl)amino]butanenitrile Openeye Name: 3-[benzyl(2,3-dihydroxypropyl)amino]butanenitrile CAS Name: 3-[2,3-dihydroxypropyl-(phenylmethyl)amino]butanenitrile IUPAC Name: 3-[benzyl(2,3-dihydroxypropyl)amino]butanenitrile Traditional Name: 3-[benzyl(glyceryl)amino]butyronitrile Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)N(CC1=CC=CC=C1)CC(CO)O

Isomeric SMILES

CC(CC#N)N(CC1=CC=CC=C1)CC(CO)O

InChI

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