4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzonitrile IUPAC Name: 4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzonitrile Traditional Name: 4-[4-[4-(2-methylpentoxy)cyclohexyl]phenyl]benzonitrile Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC(C)COC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31NO/c1-3-4-19(2)18-27-25-15-13-24(14-16-25)23-11-9-22(10-12-23)21-7-5-20(17-26)6-8-21/h5-12,19,24-25H,3-4,13-16,18H2,1-2H3