4-[4-(2-ethylhexoxy)cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-ethylhexoxy)cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-(2-ethylhexoxy)cyclohexyl]benzonitrile CAS Name: 4-[4-(2-ethylhexoxy)cyclohexyl]benzonitrile IUPAC Name: 4-[4-(2-ethylhexoxy)cyclohexyl]benzonitrile Traditional Name: 4-[4-(2-ethylhexoxy)cyclohexyl]benzonitrile Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1CCC(CC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC(CC)COC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H31NO/c1-3-5-6-17(4-2)16-23-21-13-11-20(12-14-21)19-9-7-18(15-22)8-10-19/h7-10,17,20-21H,3-6,11-14,16H2,1-2H3