4-[(2-methylphenyl)methylamino]-3-oxidanyl-pentanenitrile

Systemtic Name: 4-[(2-methylphenyl)methylamino]-3-oxidanyl-pentanenitrile Openeye Name: 3-hydroxy-4-(o-tolylmethylamino)pentanenitrile CAS Name: 3-hydroxy-4-[(2-methylphenyl)methylamino]pentanenitrile IUPAC Name: 3-hydroxy-4-[(2-methylphenyl)methylamino]pentanenitrile Traditional Name: 3-hydroxy-4-[(2-methylbenzyl)amino]valeronitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(C)C(CC#N)O

Isomeric SMILES

CC1=CC=CC=C1CNC(C)C(CC#N)O

InChI

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