(2S)-2-(4-propan-2-ylphenyl)butanenitrile

Systemtic Name: (2S)-2-(4-propan-2-ylphenyl)butanenitrile Openeye Name: (2S)-2-(4-isopropylphenyl)butanenitrile CAS Name: (2S)-2-(4-propan-2-ylphenyl)butanenitrile IUPAC Name: (2S)-2-(4-propan-2-ylphenyl)butanenitrile Traditional Name: (2S)-2-p-cumenylbutyronitrile Formula: C13H17N MolecularWeight: 187.28078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-4-11(9-14)13-7-5-12(6-8-13)10(2)3/h5-8,10-11H,4H2,1-3H3/t11-/m1/s1