(5-pentylpyrimidin-2-yl) 4-cyanobenzoate

Systemtic Name: (5-pentylpyrimidin-2-yl) 4-cyanobenzoate Openeye Name: (5-pentylpyrimidin-2-yl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (5-pentyl-2-pyrimidinyl) ester IUPAC Name: (5-pentylpyrimidin-2-yl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (5-amylpyrimidin-2-yl) ester Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-2-3-4-5-14-11-19-17(20-12-14)22-16(21)15-8-6-13(10-18)7-9-15/h6-9,11-12H,2-5H2,1H3