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

Systemtic Name: [2-(2-ethylpyridin-4-yl)phenyl] 4-methylhexanoate; 2-methyloxane Openeye Name: [2-(2-ethyl-4-pyridyl)phenyl] 4-methylhexanoate; 2-methyltetrahydropyran CAS Name: 4-methylhexanoic acid [2-(2-ethyl-4-pyridinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyridin-4-yl)phenyl] 4-methylhexanoate; 2-methyloxane Traditional Name: 4-methylhexanoic acid [2-(2-ethyl-4-pyridyl)phenyl] ester; 2-methyltetrahydropyran Formula: C26H37NO3 MolecularWeight: 411.57688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCC(C)CC.CC1CCCCO1

Isomeric SMILES

CCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCC(C)CC.CC1CCCCO1

InChI

InChI=1S/C20H25NO2.C6H12O/c1-4-15(3)10-11-20(22)23-19-9-7-6-8-18(19)16-12-13-21-17(5-2)14-16;1-6-4-2-3-5-7-6/h6-9,12-15H,4-5,10-11H2,1-3H3;6H,2-5H2,1H3