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

Systemtic Name: oxane; [2-(2-propylpyrimidin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(2-propylpyrimidin-4-yl)phenyl] 4-methylhexanoate; tetrahydropyran CAS Name: 4-methylhexanoic acid [2-(2-propyl-4-pyrimidinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propylpyrimidin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(2-propylpyrimidin-4-yl)phenyl] ester; tetrahydropyran Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCC(C)CC.C1CCOCC1

Isomeric SMILES

CCCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCC(C)CC.C1CCOCC1

InChI

InChI=1S/C20H26N2O2.C5H10O/c1-4-8-19-21-14-13-17(22-19)16-9-6-7-10-18(16)24-20(23)12-11-15(3)5-2;1-2-4-6-5-3-1/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3;1-5H2