2-butoxy-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-butoxy-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-butoxy-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzonitrile CAS Name: 2-butoxy-5-[5-[(4-pentylcyclohexyl)methoxy]-2-pyrimidinyl]benzonitrile IUPAC Name: 2-butoxy-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzonitrile Traditional Name: 5-[5-[(4-amylcyclohexyl)methoxy]pyrimidin-2-yl]-2-butoxy-benzonitrile Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCC)C#N

InChI

InChI=1S/C27H37N3O2/c1-3-5-7-8-21-9-11-22(12-10-21)20-32-25-18-29-27(30-19-25)23-13-14-26(24(16-23)17-28)31-15-6-4-2/h13-14,16,18-19,21-22H,3-12,15,20H2,1-2H3