7-[[3-(hydroxymethyl)-4-oxidanyl-phenyl]amino]heptanenitrile

Systemtic Name: 7-[[3-(hydroxymethyl)-4-oxidanyl-phenyl]amino]heptanenitrile Openeye Name: 7-[4-hydroxy-3-(hydroxymethyl)anilino]heptanenitrile CAS Name: 7-[4-hydroxy-3-(hydroxymethyl)anilino]heptanenitrile IUPAC Name: 7-[4-hydroxy-3-(hydroxymethyl)anilino]heptanenitrile Traditional Name: 7-(4-hydroxy-3-methylol-anilino)enanthonitrile Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCCCCC#N)CO)O

Isomeric SMILES

C1=CC(=C(C=C1NCCCCCCC#N)CO)O

InChI

InChI=1S/C14H20N2O2/c15-8-4-2-1-3-5-9-16-13-6-7-14(18)12(10-13)11-17/h6-7,10,16-18H,1-5,9,11H2