[4-[5-(4-decoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-decoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-[4-[decoxy(oxo)methoxy]phenyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decoxycarbonyloxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C36H48N2O5 MolecularWeight: 588.77672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C36H48N2O5/c1-5-6-7-8-9-10-11-12-24-41-36(40)43-33-20-16-29(17-21-33)31-25-37-34(38-26-31)30-18-22-32(23-19-30)42-35(39)28(4)15-13-14-27(2)3/h16-23,25-28H,5-15,24H2,1-4H3