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

Systemtic Name: 2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-4-yl-pyrimidin-4-yl]amino]-3-[4-[3-(hydroxymethyl)phenyl]phenyl]propanoic acid Openeye Name: 2-[[2-[cyclohexyl(methyl)amino]-5-(4-pyridyl)pyrimidin-4-yl]amino]-3-[4-[3-(hydroxymethyl)phenyl]phenyl]propanoic acid CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-4-yl-4-pyrimidinyl]amino]-3-[4-[3-(hydroxymethyl)phenyl]phenyl]propanoic acid IUPAC Name: 2-[[2-[cyclohexyl(methyl)amino]-5-pyridin-4-ylpyrimidin-4-yl]amino]-3-[4-[3-(hydroxymethyl)phenyl]phenyl]propanoic acid Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-5-(4-pyridyl)pyrimidin-4-yl]amino]-3-[4-(3-methylolphenyl)phenyl]propionic acid Formula: C32H35N5O3 MolecularWeight: 537.652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35N5O3/c1-37(27-8-3-2-4-9-27)32-34-20-28(25-14-16-33-17-15-25)30(36-32)35-29(31(39)40)19-22-10-12-24(13-11-22)26-7-5-6-23(18-26)21-38/h5-7,10-18,20,27,29,38H,2-4,8-9,19,21H2,1H3,(H,39,40)(H,34,35,36)