4-[4-[(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)amino]phenoxy]butanoic acid

Systemtic Name: 4-[4-[(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)amino]phenoxy]butanoic acid Openeye Name: 4-[4-[(4-benzyloxy-6-phenyl-pyrimidin-2-yl)amino]phenoxy]butanoic acid CAS Name: 4-[4-[(4-phenyl-6-phenylmethoxy-2-pyrimidinyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[4-[(4-phenyl-6-phenylmethoxypyrimidin-2-yl)amino]phenoxy]butanoic acid Traditional Name: 4-[4-[(4-benzoxy-6-phenyl-pyrimidin-2-yl)amino]phenoxy]butyric acid Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)OCCCC(=O)O

InChI

InChI=1S/C27H25N3O4/c31-26(32)12-7-17-33-23-15-13-22(14-16-23)28-27-29-24(21-10-5-2-6-11-21)18-25(30-27)34-19-20-8-3-1-4-9-20/h1-6,8-11,13-16,18H,7,12,17,19H2,(H,31,32)(H,28,29,30)