(2S)-2-(3,4-dimethylphenyl)butanenitrile

Systemtic Name: (2S)-2-(3,4-dimethylphenyl)butanenitrile Openeye Name: (2S)-2-(3,4-dimethylphenyl)butanenitrile CAS Name: (2S)-2-(3,4-dimethylphenyl)butanenitrile IUPAC Name: (2S)-2-(3,4-dimethylphenyl)butanenitrile Traditional Name: (2S)-2-(3,4-dimethylphenyl)butyronitrile Formula: C12H15N MolecularWeight: 173.2542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N/c1-4-11(8-13)12-6-5-9(2)10(3)7-12/h5-7,11H,4H2,1-3H3/t11-/m1/s1