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

Systemtic Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] pentanoate Openeye Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] pentanoate CAS Name: pentanoic acid [4-[5-(4-cyanophenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2/c1-2-3-4-21(26)27-20-11-9-18(10-12-20)22-24-14-19(15-25-22)17-7-5-16(13-23)6-8-17/h5-12,14-15H,2-4H2,1H3