[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] hexanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] hexanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-8-10-11-23-13-15-25(16-14-23)29-30-21-26(22-31-29)24-17-19-27(20-18-24)33-28(32)12-9-6-4-2/h13-22H,3-12H2,1-2H3