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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=CN=C2C3=CC=CC=C3OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=CN=C2C3=CC=CC=C3OC(=O)C(C)CC

InChI

InChI=1S/C29H36N2O2/c1-4-6-7-8-9-10-13-23-16-18-24(19-17-23)26-20-30-21-31-28(26)25-14-11-12-15-27(25)33-29(32)22(3)5-2/h11-12,14-22H,4-10,13H2,1-3H3