[5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 2-methylbutanoate

Systemtic Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 2-methylbutanoate Openeye Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [5-(heptoxymethoxy)-4-phenyl-2-pyrimidinyl] ester IUPAC Name: [5-(heptoxymethoxy)-4-phenylpyrimidin-2-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)C(C)CC

InChI

InChI=1S/C23H32N2O4/c1-4-6-7-8-12-15-27-17-28-20-16-24-23(29-22(26)18(3)5-2)25-21(20)19-13-10-9-11-14-19/h9-11,13-14,16,18H,4-8,12,15,17H2,1-3H3