(2S)-2-(2,5-dimethylphenyl)-3-methyl-butanenitrile

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)-3-methyl-butanenitrile Openeye Name: (2S)-2-(2,5-dimethylphenyl)-3-methyl-butanenitrile CAS Name: (2S)-2-(2,5-dimethylphenyl)-3-methylbutanenitrile IUPAC Name: (2S)-2-(2,5-dimethylphenyl)-3-methylbutanenitrile Traditional Name: (2S)-2-(2,5-dimethylphenyl)-3-methyl-butyronitrile Formula: C13H17N MolecularWeight: 187.28078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C#N)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@H](C#N)C(C)C

InChI

InChI=1S/C13H17N/c1-9(2)13(8-14)12-7-10(3)5-6-11(12)4/h5-7,9,13H,1-4H3/t13-/m0/s1