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

Systemtic Name: [4-(5-cyanopyrimidin-2-yl)phenyl] heptanoate Openeye Name: [4-(5-cyanopyrimidin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-cyano-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-cyanopyrimidin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-cyanopyrimidin-2-yl)phenyl] ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-2-3-4-5-6-17(22)23-16-9-7-15(8-10-16)18-20-12-14(11-19)13-21-18/h7-10,12-13H,2-6H2,1H3