(2S)-2-(4-butan-2-ylphenyl)propanenitrile

Systemtic Name: (2S)-2-(4-butan-2-ylphenyl)propanenitrile Openeye Name: (2S)-2-(4-sec-butylphenyl)propanenitrile CAS Name: (2S)-2-(4-butan-2-ylphenyl)propanenitrile IUPAC Name: (2S)-2-(4-butan-2-ylphenyl)propanenitrile Traditional Name: (2S)-2-(4-sec-butylphenyl)propionitrile Formula: C13H17N MolecularWeight: 187.28078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)[C@H](C)C#N

InChI

InChI=1S/C13H17N/c1-4-10(2)12-5-7-13(8-6-12)11(3)9-14/h5-8,10-11H,4H2,1-3H3/t10?,11-/m1/s1