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

Systemtic Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 4-methylhexanoate; 2-methyloxane Openeye Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 4-methylhexanoate; 2-methyltetrahydropyran CAS Name: 4-methylhexanoic acid [2-(2-ethyl-4-pyrimidinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 4-methylhexanoate; 2-methyloxane Traditional Name: 4-methylhexanoic acid [2-(2-ethylpyrimidin-4-yl)phenyl] ester; 2-methyltetrahydropyran Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2.C6H12O/c1-4-14(3)10-11-19(22)23-17-9-7-6-8-15(17)16-12-13-20-18(5-2)21-16;1-6-4-2-3-5-7-6/h6-9,12-14H,4-5,10-11H2,1-3H3;6H,2-5H2,1H3