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

Systemtic Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 2-methylbutanoate; 2-methyloxane Openeye Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 2-methylbutanoate; 2-methyltetrahydropyran CAS Name: 2-methylbutanoic acid [2-(2-ethyl-4-pyrimidinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 2-methylbutanoate; 2-methyloxane Traditional Name: 2-methylbutyric acid [2-(2-ethylpyrimidin-4-yl)phenyl] ester; 2-methyltetrahydropyran Formula: C23H32N2O3 MolecularWeight: 384.51178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2.C6H12O/c1-4-12(3)17(20)21-15-9-7-6-8-13(15)14-10-11-18-16(5-2)19-14;1-6-4-2-3-5-7-6/h6-12H,4-5H2,1-3H3;6H,2-5H2,1H3