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

Systemtic Name: pyrimidin-5-yl 4-hexyl-2-(4-propylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-hexyl-2-(4-propylphenyl)benzoate CAS Name: 4-hexyl-2-(4-propylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-hexyl-2-(4-propylphenyl)benzoate Traditional Name: 4-hexyl-2-(4-propylphenyl)benzoic acid 5-pyrimidyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-7-9-21-12-15-24(26(29)30-23-17-27-19-28-18-23)25(16-21)22-13-10-20(8-4-2)11-14-22/h10-19H,3-9H2,1-2H3