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

Systemtic Name: 2-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2)N(C)C3CCCCC3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C23H31N5O4/c1-27(2)23(31)32-18-11-9-16(10-12-18)15-19(21(29)30)25-20-13-14-24-22(26-20)28(3)17-7-5-4-6-8-17/h9-14,17,19H,4-8,15H2,1-3H3,(H,29,30)(H,24,25,26)