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

Systemtic Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(2-propoxy-4-pyridyl)phenyl] 4-methylhexanoate; tetrahydropyran CAS Name: 4-methylhexanoic acid [2-(2-propoxy-4-pyridinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(2-propoxy-4-pyridyl)phenyl] ester; tetrahydropyran Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3.C5H10O/c1-4-14-24-20-15-17(12-13-22-20)18-8-6-7-9-19(18)25-21(23)11-10-16(3)5-2;1-2-4-6-5-3-1/h6-9,12-13,15-16H,4-5,10-11,14H2,1-3H3;1-5H2