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

Systemtic Name: [4-(5-cyanopyrimidin-2-yl)phenyl] octanoate Openeye Name: [4-(5-cyanopyrimidin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(5-cyano-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-cyanopyrimidin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-cyanopyrimidin-2-yl)phenyl] ester Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-2-3-4-5-6-7-18(23)24-17-10-8-16(9-11-17)19-21-13-15(12-20)14-22-19/h8-11,13-14H,2-7H2,1H3