4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzenecarbonitrile

Systemtic Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybenzenecarbonitrile Openeye Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzonitrile CAS Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile IUPAC Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile Traditional Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=CC=C(C=C2)C#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=CC=C(C=C2)C#N)C(C)C

InChI

InChI=1S/C17H23NO/c1-12(2)16-9-4-13(3)10-17(16)19-15-7-5-14(11-18)6-8-15/h5-8,12-13,16-17H,4,9-10H2,1-3H3/t13-,16+,17-/m0/s1