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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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