oxane; [2-(2-propoxypyridin-4-yl)phenyl] 3-methylpentanoate

Systemtic Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(2-propoxy-4-pyridyl)phenyl] 3-methylpentanoate; tetrahydropyran CAS Name: 3-methylpentanoic acid [2-(2-propoxy-4-pyridinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(2-propoxy-4-pyridyl)phenyl] ester; tetrahydropyran Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3.C5H10O/c1-4-12-23-19-14-16(10-11-21-19)17-8-6-7-9-18(17)24-20(22)13-15(3)5-2;1-2-4-6-5-3-1/h6-11,14-15H,4-5,12-13H2,1-3H3;1-5H2