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

Systemtic Name: [2-(2-ethylpyridin-4-yl)phenyl] 2-methylbutanoate; 2-methyloxane Openeye Name: [2-(2-ethyl-4-pyridyl)phenyl] 2-methylbutanoate; 2-methyltetrahydropyran CAS Name: 2-methylbutanoic acid [2-(2-ethyl-4-pyridinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyridin-4-yl)phenyl] 2-methylbutanoate; 2-methyloxane Traditional Name: 2-methylbutyric acid [2-(2-ethyl-4-pyridyl)phenyl] ester; 2-methyltetrahydropyran Formula: C24H33NO3 MolecularWeight: 383.52372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2.C6H12O/c1-4-13(3)18(20)21-17-9-7-6-8-16(17)14-10-11-19-15(5-2)12-14;1-6-4-2-3-5-7-6/h6-13H,4-5H2,1-3H3;6H,2-5H2,1H3