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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexylbenzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexylbenzoate CAS Name: 2-hexylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexylbenzoate Traditional Name: 2-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=CC=C1C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

InChI

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