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

Systemtic Name: oxane; [2-(2-propylpyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(2-propyl-4-pyridyl)phenyl] 4-methylhexanoate; tetrahydropyran CAS Name: 4-methylhexanoic acid [2-(2-propyl-4-pyridinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propylpyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(2-propyl-4-pyridyl)phenyl] ester; tetrahydropyran Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCC(C)CC.C1CCOCC1

Isomeric SMILES

CCCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCC(C)CC.C1CCOCC1

InChI

InChI=1S/C21H27NO2.C5H10O/c1-4-8-18-15-17(13-14-22-18)19-9-6-7-10-20(19)24-21(23)12-11-16(3)5-2;1-2-4-6-5-3-1/h6-7,9-10,13-16H,4-5,8,11-12H2,1-3H3;1-5H2