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

Systemtic Name: 4-[4-(4-hexan-2-yloxycyclohexyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylpentoxy)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-(4-hexan-2-yloxycyclohexyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-hexan-2-yloxycyclohexyl)phenyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylpentoxy)cyclohexyl]phenyl]benzonitrile Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO/c1-3-4-5-19(2)27-25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-8-6-20(18-26)7-9-21/h6-13,19,24-25H,3-5,14-17H2,1-2H3