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

Systemtic Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(2-propoxy-4-pyridyl)phenyl] 2-methylbutanoate; tetrahydropyran CAS Name: 2-methylbutanoic acid [2-(2-propoxy-4-pyridinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(2-propoxy-4-pyridyl)phenyl] ester; tetrahydropyran Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3.C5H10O/c1-4-12-22-18-13-15(10-11-20-18)16-8-6-7-9-17(16)23-19(21)14(3)5-2;1-2-4-6-5-3-1/h6-11,13-14H,4-5,12H2,1-3H3;1-5H2