[4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

InChI

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