ethyl 4-[[4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(4-fluorophenyl)-6-phenyl-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C25H20FN3O2 MolecularWeight: 413.443603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H20FN3O2/c1-2-31-24(30)19-10-14-21(15-11-19)27-25-28-22(17-6-4-3-5-7-17)16-23(29-25)18-8-12-20(26)13-9-18/h3-16H,2H2,1H3,(H,27,28,29)