3-oxidanyl-2-[[(phenylmethyl)amino]methyl]pentanenitrile

Systemtic Name: 3-oxidanyl-2-[[(phenylmethyl)amino]methyl]pentanenitrile Openeye Name: 2-[(benzylamino)methyl]-3-hydroxy-pentanenitrile CAS Name: 3-hydroxy-2-[[(phenylmethyl)amino]methyl]pentanenitrile IUPAC Name: 2-[(benzylamino)methyl]-3-hydroxypentanenitrile Traditional Name: 2-[(benzylamino)methyl]-3-hydroxy-valeronitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CNCC1=CC=CC=C1)C#N)O

Isomeric SMILES

CCC(C(CNCC1=CC=CC=C1)C#N)O

InChI

InChI=1S/C13H18N2O/c1-2-13(16)12(8-14)10-15-9-11-6-4-3-5-7-11/h3-7,12-13,15-16H,2,9-10H2,1H3