[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate

Systemtic Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Openeye Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CC

InChI

InChI=1S/C30H38N2O2/c1-4-6-7-8-11-24-13-15-26(16-14-24)30-31-21-27(22-32-30)25-17-19-28(20-18-25)34-29(33)12-9-10-23(3)5-2/h13-23H,4-12H2,1-3H3