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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 4-methylhexanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-9-19-11-13-20(14-12-19)23-24-16-21(17-25-23)27-22(26)15-10-18(3)5-2/h11-14,16-18H,4-10,15H2,1-3H3