(1S,4R)-3-(4-tert-butylphenyl)bicyclo[2.2.1]heptane-3-carbonitrile

Systemtic Name: (1S,4R)-3-(4-tert-butylphenyl)bicyclo[2.2.1]heptane-3-carbonitrile Openeye Name: (1R,4S)-2-(4-tert-butylphenyl)norbornane-2-carbonitrile CAS Name: (1S,4R)-3-(4-tert-butylphenyl)-3-bicyclo[2.2.1]heptanecarbonitrile IUPAC Name: (1S,4R)-3-(4-tert-butylphenyl)bicyclo[2.2.1]heptane-3-carbonitrile Traditional Name: (1R,4S)-2-(4-tert-butylphenyl)norbornane-2-carbonitrile Formula: C18H23N MolecularWeight: 253.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2(CC3CCC2C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2(C[C@H]3CC[C@@H]2C3)C#N

InChI

InChI=1S/C18H23N/c1-17(2,3)14-6-8-15(9-7-14)18(12-19)11-13-4-5-16(18)10-13/h6-9,13,16H,4-5,10-11H2,1-3H3/t13-,16+,18?/m0/s1