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

Systemtic Name: (5-octyl-2-phenyl-pyrimidin-4-yl) benzoate Openeye Name: (5-octyl-2-phenyl-pyrimidin-4-yl) benzoate CAS Name: benzoic acid (5-octyl-2-phenyl-4-pyrimidinyl) ester IUPAC Name: (5-octyl-2-phenylpyrimidin-4-yl) benzoate Traditional Name: benzoic acid (5-octyl-2-phenyl-pyrimidin-4-yl) ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2/c1-2-3-4-5-6-9-18-22-19-26-23(20-14-10-7-11-15-20)27-24(22)29-25(28)21-16-12-8-13-17-21/h7-8,10-17,19H,2-6,9,18H2,1H3