2-[(5-cyclohexylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[(5-cyclohexylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[(5-cyclohexylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[(5-cyclohexyl-4-pyrimidinyl)amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(5-cyclohexylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[(5-cyclohexylpyrimidin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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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=C2C3CCCCC3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2C3CCCCC3

InChI

InChI=1S/C22H28N4O4/c1-26(2)22(29)30-17-10-8-15(9-11-17)12-19(21(27)28)25-20-18(13-23-14-24-20)16-6-4-3-5-7-16/h8-11,13-14,16,19H,3-7,12H2,1-2H3,(H,27,28)(H,23,24,25)