(4-cyanocyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-cyanocyclohexyl) ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C22H25N3O2/c1-2-3-4-17-14-24-21(25-15-17)18-7-9-19(10-8-18)22(26)27-20-11-5-16(13-23)6-12-20/h7-10,14-16,20H,2-6,11-12H2,1H3