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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] nonanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] nonanoate CAS Name: nonanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] nonanoate Traditional Name: pelargonic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-10-12-14-24(28)29-23-19-26-25(27-20-23)22-17-15-21(16-18-22)13-11-8-6-4-2/h15-20H,3-14H2,1-2H3