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

Systemtic Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[2-(4-decylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[2-(4-decylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C35H48N2O2/c1-5-6-7-8-9-10-11-12-16-29-17-19-31(20-18-29)34-36-25-32(26-37-34)30-21-23-33(24-22-30)39-35(38)28(4)15-13-14-27(2)3/h17-28H,5-16H2,1-4H3