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

Systemtic Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Openeye Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Traditional Name: 4-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)CCC(C)CCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-4-6-7-8-10-24-12-14-26(15-13-24)30-31-21-27(22-32-30)25-16-18-28(19-17-25)34-29(33)20-11-23(3)9-5-2/h12-19,21-23H,4-11,20H2,1-3H3