oxane; [2-(2-propoxypyridin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(2-propoxy-4-pyridyl)phenyl] 6-methyloctanoate; tetrahydropyran CAS Name: 6-methyloctanoic acid [2-(2-propoxy-4-pyridinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(2-propoxy-4-pyridyl)phenyl] ester; tetrahydropyran Formula: C28H41NO4 MolecularWeight: 455.62944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC.C1CCOCC1

Isomeric SMILES

CCCOC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC.C1CCOCC1

InChI

InChI=1S/C23H31NO3.C5H10O/c1-4-16-26-22-17-19(14-15-24-22)20-11-7-8-12-21(20)27-23(25)13-9-6-10-18(3)5-2;1-2-4-6-5-3-1/h7-8,11-12,14-15,17-18H,4-6,9-10,13,16H2,1-3H3;1-5H2