[2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane

Systemtic Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Openeye Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate; 2-methyltetrahydropyran CAS Name: 6-methyloctanoic acid [2-(2-ethyl-4-pyrimidinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Traditional Name: 6-methylcaprylic acid [2-(2-ethylpyrimidin-4-yl)phenyl] ester; 2-methyltetrahydropyran Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCCCC(C)CC.CC1CCCCO1

Isomeric SMILES

CCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCCCC(C)CC.CC1CCCCO1

InChI

InChI=1S/C21H28N2O2.C6H12O/c1-4-16(3)10-6-9-13-21(24)25-19-12-8-7-11-17(19)18-14-15-22-20(5-2)23-18;1-6-4-2-3-5-7-6/h7-8,11-12,14-16H,4-6,9-10,13H2,1-3H3;6H,2-5H2,1H3