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

Systemtic Name: [2-(2-ethoxypyridin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Openeye Name: [2-(2-ethoxy-4-pyridyl)phenyl] 6-methyloctanoate; 2-methyltetrahydropyran CAS Name: 6-methyloctanoic acid [2-(2-ethoxy-4-pyridinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethoxypyridin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Traditional Name: 6-methylcaprylic acid [2-(2-ethoxy-4-pyridyl)phenyl] ester; 2-methyltetrahydropyran Formula: C28H41NO4 MolecularWeight: 455.62944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCC(=O)OC1=CC=CC=C1C2=CC(=NC=C2)OCC.CC1CCCCO1

Isomeric SMILES

CCC(C)CCCCC(=O)OC1=CC=CC=C1C2=CC(=NC=C2)OCC.CC1CCCCO1

InChI

InChI=1S/C22H29NO3.C6H12O/c1-4-17(3)10-6-9-13-22(24)26-20-12-8-7-11-19(20)18-14-15-23-21(16-18)25-5-2;1-6-4-2-3-5-7-6/h7-8,11-12,14-17H,4-6,9-10,13H2,1-3H3;6H,2-5H2,1H3