3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[furan-2-ylmethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[furan-2-ylmethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-furylmethyl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[2-[2-furanylmethyl(methyl)amino]-5-(2-methylphenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[furan-2-ylmethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-furfuryl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propionic acid Formula: C29H31N5O5 MolecularWeight: 529.58694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)N(C)CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)N(C)CC4=CC=CO4

InChI

InChI=1S/C29H31N5O5/c1-19-8-5-6-10-23(19)24-17-30-28(34(4)18-22-9-7-15-38-22)32-26(24)31-25(27(35)36)16-20-11-13-21(14-12-20)39-29(37)33(2)3/h5-15,17,25H,16,18H2,1-4H3,(H,35,36)(H,30,31,32)