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

Systemtic Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] butanoate Openeye Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] butanoate CAS Name: butanoic acid [4-[4-(2-cyano-5-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] butanoate Traditional Name: butyric acid [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(N=C3)C#N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(N=C3)C#N

InChI

InChI=1S/C21H17N3O2/c1-2-3-21(25)26-19-10-8-16(9-11-19)15-4-6-17(7-5-15)18-13-23-20(12-22)24-14-18/h4-11,13-14H,2-3H2,1H3