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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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