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

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylpentanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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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)CCC

Isomeric SMILES

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

InChI

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