2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-3-yl-pyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-3-yl-pyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[2-[cyclohexyl(methyl)amino]-5-(3-pyridyl)pyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-5-(3-pyridinyl)-4-pyrimidinyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-3-ylpyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-5-(3-pyridyl)pyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propionic acid Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC=C(C(=N2)NC(CC3=CC=C(C=C3)C4=C(C=CC=C4OC)OC)C(=O)O)C5=CN=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C2=NC=C(C(=N2)NC(CC3=CC=C(C=C3)C4=C(C=CC=C4OC)OC)C(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C33H37N5O4/c1-38(25-10-5-4-6-11-25)33-35-21-26(24-9-8-18-34-20-24)31(37-33)36-27(32(39)40)19-22-14-16-23(17-15-22)30-28(41-2)12-7-13-29(30)42-3/h7-9,12-18,20-21,25,27H,4-6,10-11,19H2,1-3H3,(H,39,40)(H,35,36,37)