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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC(=O)OC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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