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

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

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