[2-(4-nonoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate

Systemtic Name: [2-(4-nonoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-nonoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-nonoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-nonoxyphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-19-31-24-17-15-23(16-18-24)27-28-20-25(21-29-27)32-26(30)14-12-13-22(3)5-2/h15-18,20-22H,4-14,19H2,1-3H3