7-[4-[[4-(carboxymethyloxy)-6-phenyl-pyrimidin-2-yl]amino]phenoxy]heptanoic acid

Systemtic Name: 7-[4-[[4-(carboxymethyloxy)-6-phenyl-pyrimidin-2-yl]amino]phenoxy]heptanoic acid Openeye Name: 7-[4-[[4-(carboxymethyloxy)-6-phenyl-pyrimidin-2-yl]amino]phenoxy]heptanoic acid CAS Name: 7-[4-[[4-(carboxymethyloxy)-6-phenyl-2-pyrimidinyl]amino]phenoxy]heptanoic acid IUPAC Name: 7-[4-[[4-(carboxymethyloxy)-6-phenylpyrimidin-2-yl]amino]phenoxy]heptanoic acid Traditional Name: 7-[4-[[4-(carboxymethyloxy)-6-phenyl-pyrimidin-2-yl]amino]phenoxy]enanthic acid Formula: C25H27N3O6 MolecularWeight: 465.49838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=CC=C(C=C3)OCCCCCCC(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=CC=C(C=C3)OCCCCCCC(=O)O)OCC(=O)O

InChI

InChI=1S/C25H27N3O6/c29-23(30)10-6-1-2-7-15-33-20-13-11-19(12-14-20)26-25-27-21(18-8-4-3-5-9-18)16-22(28-25)34-17-24(31)32/h3-5,8-9,11-14,16H,1-2,6-7,10,15,17H2,(H,29,30)(H,31,32)(H,26,27,28)