[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2,3-dimethylheptanoate

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2,3-dimethylheptanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2,3-dimethylheptanoate CAS Name: 2,3-dimethylheptanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2,3-dimethylheptanoate Traditional Name: 2,3-dimethylenanthic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)C(C)CCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)C(C)CCCC

InChI

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