pyrimidin-5-yl 4-hexyl-2-(4-hexylphenyl)benzoate

Systemtic Name: pyrimidin-5-yl 4-hexyl-2-(4-hexylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-hexyl-2-(4-hexylphenyl)benzoate CAS Name: 4-hexyl-2-(4-hexylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-hexyl-2-(4-hexylphenyl)benzoate Traditional Name: 4-hexyl-2-(4-hexylphenyl)benzoic acid 5-pyrimidyl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)OC3=CN=CN=C3

InChI

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