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

Systemtic Name: [4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-hexylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C31H40N2O2/c1-5-6-7-8-12-25-13-15-26(16-14-25)28-21-32-30(33-22-28)27-17-19-29(20-18-27)35-31(34)24(4)11-9-10-23(2)3/h13-24H,5-12H2,1-4H3