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

Systemtic Name: [4-(5-cyanopyrimidin-2-yl)phenyl] butanoate Openeye Name: [4-(5-cyanopyrimidin-2-yl)phenyl] butanoate CAS Name: butanoic acid [4-(5-cyano-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-cyanopyrimidin-2-yl)phenyl] butanoate Traditional Name: butyric acid [4-(5-cyanopyrimidin-2-yl)phenyl] ester Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2/c1-2-3-14(19)20-13-6-4-12(5-7-13)15-17-9-11(8-16)10-18-15/h4-7,9-10H,2-3H2,1H3