4-[(2R,5S)-5-pentyloxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R,5S)-5-pentyloxan-2-yl]benzenecarbonitrile Openeye Name: 4-[(2R,5S)-5-pentyltetrahydropyran-2-yl]benzonitrile CAS Name: 4-[(2R,5S)-5-pentyl-2-oxanyl]benzonitrile IUPAC Name: 4-[(2R,5S)-5-pentyloxan-2-yl]benzonitrile Traditional Name: 4-[(2R,5S)-5-amyltetrahydropyran-2-yl]benzonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(OC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC[C@H]1CC[C@@H](OC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23NO/c1-2-3-4-5-15-8-11-17(19-13-15)16-9-6-14(12-18)7-10-16/h6-7,9-10,15,17H,2-5,8,11,13H2,1H3/t15-,17+/m0/s1