(2R)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-yl-propanoic acid

Systemtic Name: (2R)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-yl-propanoic acid Openeye Name: (2R)-2-[[6-(4-benzyloxyphenyl)pyrimidin-4-yl]amino]-3-(2-pyridyl)propanoic acid CAS Name: (2R)-2-[[6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]amino]-3-(2-pyridinyl)propanoic acid IUPAC Name: (2R)-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid Traditional Name: (2R)-2-[[6-(4-benzoxyphenyl)pyrimidin-4-yl]amino]-3-(2-pyridyl)propionic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=NC=N3)NC(CC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=NC=N3)N[C@H](CC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C25H22N4O3/c30-25(31)23(14-20-8-4-5-13-26-20)29-24-15-22(27-17-28-24)19-9-11-21(12-10-19)32-16-18-6-2-1-3-7-18/h1-13,15,17,23H,14,16H2,(H,30,31)(H,27,28,29)/t23-/m1/s1