[2-(4-cyanophenyl)pyrimidin-5-yl] nonanoate

Systemtic Name: [2-(4-cyanophenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-cyanophenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-(4-cyanophenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-cyanophenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-cyanophenyl)pyrimidin-5-yl] ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-2-3-4-5-6-7-8-19(24)25-18-14-22-20(23-15-18)17-11-9-16(13-21)10-12-17/h9-12,14-15H,2-8H2,1H3