[2-(4-cyanophenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-cyanophenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-cyanophenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-cyanophenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-cyanophenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-cyanophenyl)pyrimidin-5-yl] ester Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

InChI

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