[2-(4-butylpyrimidin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-butylpyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-butylpyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-butylpyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-butylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-12-19-16-17-24-23(25-19)20-13-8-9-14-21(20)27-22(26)15-10-7-11-18(3)5-2/h8-9,13-14,16-18H,4-7,10-12,15H2,1-3H3