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

Systemtic Name: 2-[[2-[cyclohexyl(methyl)amino]-5-ethyl-pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[2-[cyclohexyl(methyl)amino]-5-ethyl-pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-5-ethyl-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[2-[cyclohexyl(methyl)amino]-5-ethylpyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-5-ethyl-pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(C)C3CCCCC3

Isomeric SMILES

CCC1=CN=C(N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(C)C3CCCCC3

InChI

InChI=1S/C25H35N5O4/c1-5-18-16-26-24(30(4)19-9-7-6-8-10-19)28-22(18)27-21(23(31)32)15-17-11-13-20(14-12-17)34-25(33)29(2)3/h11-14,16,19,21H,5-10,15H2,1-4H3,(H,31,32)(H,26,27,28)