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

Systemtic Name: 4-[4-[[4-[(2-chlorophenyl)methoxy]-6-phenyl-pyrimidin-2-yl]amino]phenoxy]butanoic acid Openeye Name: 4-[4-[[4-[(2-chlorophenyl)methoxy]-6-phenyl-pyrimidin-2-yl]amino]phenoxy]butanoic acid CAS Name: 4-[4-[[4-[(2-chlorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-[[4-[(2-chlorophenyl)methoxy]-6-phenylpyrimidin-2-yl]amino]phenoxy]butanoic acid Traditional Name: 4-[4-[[4-(2-chlorobenzyl)oxy-6-phenyl-pyrimidin-2-yl]amino]phenoxy]butyric acid Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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)OCCCC(=O)O)OCC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=CC=C(C=C3)OCCCC(=O)O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H24ClN3O4/c28-23-10-5-4-9-20(23)18-35-25-17-24(19-7-2-1-3-8-19)30-27(31-25)29-21-12-14-22(15-13-21)34-16-6-11-26(32)33/h1-5,7-10,12-15,17H,6,11,16,18H2,(H,32,33)(H,29,30,31)