4-[4-(4-heptan-2-yloxycyclohexyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-heptan-2-yloxycyclohexyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylhexoxy)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-(4-heptan-2-yloxycyclohexyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-heptan-2-yloxycyclohexyl)phenyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylhexoxy)cyclohexyl]phenyl]benzonitrile Formula: C26H33NO MolecularWeight: 375.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC(C)OC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33NO/c1-3-4-5-6-20(2)28-26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-9-7-21(19-27)8-10-22/h7-14,20,25-26H,3-6,15-18H2,1-2H3