pyrimidin-5-yl 2-(4-octylphenyl)-4-propyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-octylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-octylphenyl)-4-propyl-benzoate CAS Name: 2-(4-octylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-octylphenyl)-4-propylbenzoate Traditional Name: 2-(4-octylphenyl)-4-propyl-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)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

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