3-[4-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-methyl-pyrimidin-2-yl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-methyl-pyrimidin-2-yl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(3-cyclohexyl-5-methyl-isoxazol-4-yl)-5-methyl-pyrimidin-2-yl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[4-(3-cyclohexyl-5-methyl-4-isoxazolyl)-5-methyl-2-pyrimidinyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(3-cyclohexyl-5-methyl-isoxazol-4-yl)-5-methyl-pyrimidin-2-yl]amino]phenyl]propionic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=C(ON=C2C3CCCCC3)C)NC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=CN=C(N=C1C2=C(ON=C2C3CCCCC3)C)NC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C24H28N4O3/c1-15-14-25-24(26-19-11-8-17(9-12-19)10-13-20(29)30)27-22(15)21-16(2)31-28-23(21)18-6-4-3-5-7-18/h8-9,11-12,14,18H,3-7,10,13H2,1-2H3,(H,29,30)(H,25,26,27)