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

Systemtic Name: oxane; [2-(2-propylpyrimidin-4-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(2-propylpyrimidin-4-yl)phenyl] 2-methylbutanoate; tetrahydropyran CAS Name: 2-methylbutanoic acid [2-(2-propyl-4-pyrimidinyl)phenyl] ester; oxane IUPAC Name: oxane; [2-(2-propylpyrimidin-4-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(2-propylpyrimidin-4-yl)phenyl] ester; tetrahydropyran Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2.C5H10O/c1-4-8-17-19-12-11-15(20-17)14-9-6-7-10-16(14)22-18(21)13(3)5-2;1-2-4-6-5-3-1/h6-7,9-13H,4-5,8H2,1-3H3;1-5H2