[2-(4-heptylphenyl)pyrimidin-5-yl] 7-methylnonanoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 7-methylnonanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 7-methylnonanoate CAS Name: 7-methylnonanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 7-methylnonanoate Traditional Name: 7-methylpelargonic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC(C)CC

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-11-14-23-16-18-24(19-17-23)27-28-20-25(21-29-27)31-26(30)15-12-9-10-13-22(3)5-2/h16-22H,4-15H2,1-3H3