[4-(5-cyanopyrimidin-2-yl)phenyl] hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

InChI

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