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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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