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

Systemtic Name: pyrimidin-5-yl 4-octyl-2-(4-propylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-octyl-2-(4-propylphenyl)benzoate CAS Name: 4-octyl-2-(4-propylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-octyl-2-(4-propylphenyl)benzoate Traditional Name: 4-octyl-2-(4-propylphenyl)benzoic acid 5-pyrimidyl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H34N2O2/c1-3-5-6-7-8-9-11-23-14-17-26(28(31)32-25-19-29-21-30-20-25)27(18-23)24-15-12-22(10-4-2)13-16-24/h12-21H,3-11H2,1-2H3