[2-(5-hexadecoxycarbonyloxypyrimidin-2-yl)phenyl] 2,4-dimethylheptanoate

Systemtic Name: [2-(5-hexadecoxycarbonyloxypyrimidin-2-yl)phenyl] 2,4-dimethylheptanoate Openeye Name: [2-(5-hexadecoxycarbonyloxypyrimidin-2-yl)phenyl] 2,4-dimethylheptanoate CAS Name: 2,4-dimethylheptanoic acid [2-[5-[hexadecoxy(oxo)methoxy]-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-(5-hexadecoxycarbonyloxypyrimidin-2-yl)phenyl] 2,4-dimethylheptanoate Traditional Name: 2,4-dimethylenanthic acid [2-(5-cetyloxycarbonyloxypyrimidin-2-yl)phenyl] ester Formula: C36H56N2O5 MolecularWeight: 596.84024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)OC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C(C)CC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)OC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C(C)CC(C)CCC

InChI

InChI=1S/C36H56N2O5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-25-41-36(40)42-31-27-37-34(38-28-31)32-23-19-20-24-33(32)43-35(39)30(4)26-29(3)22-6-2/h19-20,23-24,27-30H,5-18,21-22,25-26H2,1-4H3