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

Systemtic Name: [4-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C35H48N2O3/c1-5-6-7-8-9-10-11-12-24-39-32-20-16-29(17-21-32)31-25-36-34(37-26-31)30-18-22-33(23-19-30)40-35(38)28(4)15-13-14-27(2)3/h16-23,25-28H,5-15,24H2,1-4H3