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

Systemtic Name: (4-cyanocyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid (4-cyanocyclohexyl) ester Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C23H27N3O2/c1-2-3-4-5-18-15-25-22(26-16-18)19-8-10-20(11-9-19)23(27)28-21-12-6-17(14-24)7-13-21/h8-11,15-17,21H,2-7,12-13H2,1H3