[4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] hexanoate

Systemtic Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] hexanoate Openeye Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[5-(4-cyanophenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O2/c1-2-3-4-5-22(27)28-21-12-10-19(11-13-21)23-25-15-20(16-26-23)18-8-6-17(14-24)7-9-18/h6-13,15-16H,2-5H2,1H3