2-hexoxy-5-[4-(4-pentylcyclohexyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-hexoxy-5-[4-(4-pentylcyclohexyl)phenyl]benzenecarbonitrile Openeye Name: 2-hexoxy-5-[4-(4-pentylcyclohexyl)phenyl]benzonitrile CAS Name: 2-hexoxy-5-[4-(4-pentylcyclohexyl)phenyl]benzonitrile IUPAC Name: 2-hexoxy-5-[4-(4-pentylcyclohexyl)phenyl]benzonitrile Traditional Name: 5-[4-(4-amylcyclohexyl)phenyl]-2-hexoxy-benzonitrile Formula: C30H41NO MolecularWeight: 431.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C30H41NO/c1-3-5-7-9-21-32-30-20-19-28(22-29(30)23-31)27-17-15-26(16-18-27)25-13-11-24(12-14-25)10-8-6-4-2/h15-20,22,24-25H,3-14,21H2,1-2H3