4-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile CAS Name: 4-[[4-(5-nonyl-2-pyrimidinyl)cyclohexyl]methoxy]benzonitrile IUPAC Name: 4-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile Traditional Name: 4-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2CCC(CC2)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2CCC(CC2)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-24-19-29-27(30-20-24)25-14-10-23(11-15-25)21-31-26-16-12-22(18-28)13-17-26/h12-13,16-17,19-20,23,25H,2-11,14-15,21H2,1H3