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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-hydroxyethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-hydroxyethyl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[2-[2-hydroxyethyl(methyl)amino]-5-(2-methylphenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-hydroxyethyl(methyl)amino]-5-(2-methylphenyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-[2-hydroxyethyl(methyl)amino]-5-(o-tolyl)pyrimidin-4-yl]amino]propionic acid Formula: C26H31N5O5 MolecularWeight: 493.55484

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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)CCO

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)CCO

InChI

InChI=1S/C26H31N5O5/c1-17-7-5-6-8-20(17)21-16-27-25(31(4)13-14-32)29-23(21)28-22(24(33)34)15-18-9-11-19(12-10-18)36-26(35)30(2)3/h5-12,16,22,32H,13-15H2,1-4H3,(H,33,34)(H,27,28,29)