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

Systemtic Name: [4-(5-cyanopyrimidin-2-yl)phenyl] pentanoate Openeye Name: [4-(5-cyanopyrimidin-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(5-cyano-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-cyanopyrimidin-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(5-cyanopyrimidin-2-yl)phenyl] ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-2-3-4-15(20)21-14-7-5-13(6-8-14)16-18-10-12(9-17)11-19-16/h5-8,10-11H,2-4H2,1H3