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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[ethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[ethyl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[2-[ethyl(methyl)amino]-5-(2-methylphenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[ethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[ethyl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propionic acid Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCN(C)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C26H31N5O4/c1-6-31(5)25-27-16-21(20-10-8-7-9-17(20)2)23(29-25)28-22(24(32)33)15-18-11-13-19(14-12-18)35-26(34)30(3)4/h7-14,16,22H,6,15H2,1-5H3,(H,32,33)(H,27,28,29)