2-(3-azanyl-2-oxidanyl-propoxy)-4-propyl-benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-propyl-benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-propyl-benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-propylbenzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-propylbenzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-propyl-benzonitrile Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C#N)OCC(CN)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)C#N)OCC(CN)O

InChI

InChI=1S/C13H18N2O2/c1-2-3-10-4-5-11(7-14)13(6-10)17-9-12(16)8-15/h4-6,12,16H,2-3,8-9,15H2,1H3