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

Systemtic Name: [2-(2-ethylpyridin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Openeye Name: [2-(2-ethyl-4-pyridyl)phenyl] 6-methyloctanoate; 2-methyltetrahydropyran CAS Name: 6-methyloctanoic acid [2-(2-ethyl-4-pyridinyl)phenyl] ester; 2-methyloxane IUPAC Name: [2-(2-ethylpyridin-4-yl)phenyl] 6-methyloctanoate; 2-methyloxane Traditional Name: 6-methylcaprylic acid [2-(2-ethyl-4-pyridyl)phenyl] ester; 2-methyltetrahydropyran Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2.C6H12O/c1-4-17(3)10-6-9-13-22(24)25-21-12-8-7-11-20(21)18-14-15-23-19(5-2)16-18;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