2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(propylamino)ethanenitrile

Systemtic Name: 2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(propylamino)ethanenitrile Openeye Name: 2-(4-hydroxy-3,5-dimethyl-phenyl)-2-(propylamino)acetonitrile CAS Name: 2-(4-hydroxy-3,5-dimethylphenyl)-2-(propylamino)acetonitrile IUPAC Name: 2-(4-hydroxy-3,5-dimethylphenyl)-2-(propylamino)acetonitrile Traditional Name: 2-(4-hydroxy-3,5-dimethyl-phenyl)-2-(propylamino)acetonitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C#N)C1=CC(=C(C(=C1)C)O)C

Isomeric SMILES

CCCNC(C#N)C1=CC(=C(C(=C1)C)O)C

InChI

InChI=1S/C13H18N2O/c1-4-5-15-12(8-14)11-6-9(2)13(16)10(3)7-11/h6-7,12,15-16H,4-5H2,1-3H3