(2R,3S)-3-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: (2R,3S)-3-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbonitrile Openeye Name: (2R,3S)-3-(p-tolyl)bicyclo[2.2.2]octane-2-carbonitrile CAS Name: (2R,3S)-3-(4-methylphenyl)-2-bicyclo[2.2.2]octanecarbonitrile IUPAC Name: (2R,3S)-3-(4-methylphenyl)bicyclo[2.2.2]octane-2-carbonitrile Traditional Name: (2R,3S)-3-(p-tolyl)bicyclo[2.2.2]octane-2-carbonitrile Formula: C16H19N MolecularWeight: 225.32876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3CCC(C2C#N)CC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](C3CCC2CC3)C#N

InChI

InChI=1S/C16H19N/c1-11-2-4-13(5-3-11)16-14-8-6-12(7-9-14)15(16)10-17/h2-5,12,14-16H,6-9H2,1H3/t12?,14?,15-,16+/m1/s1