[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C29H36N2O2/c1-4-6-7-8-9-10-11-23-12-14-25(15-13-23)28-30-20-26(21-31-28)24-16-18-27(19-17-24)33-29(32)22(3)5-2/h12-22H,4-11H2,1-3H3