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

Systemtic Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] hexanoate Openeye Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] hexanoate CAS Name: hexanoic acid [4-[4-(2-cyano-5-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-cyanopyrimidin-5-yl)phenyl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[4-(2-cyanopyrimidin-5-yl)phenyl]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=CC=C(C=C2)C3=CN=C(N=C3)C#N

Isomeric SMILES

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

InChI

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