3-[4-(diphenylamino)pyrimidin-5-yl]-2,2-dimethoxy-3-phenyl-propanoic acid

Systemtic Name: 3-[4-(diphenylamino)pyrimidin-5-yl]-2,2-dimethoxy-3-phenyl-propanoic acid Openeye Name: 2,2-dimethoxy-3-phenyl-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid CAS Name: 2,2-dimethoxy-3-phenyl-3-[4-(N-phenylanilino)-5-pyrimidinyl]propanoic acid IUPAC Name: 2,2-dimethoxy-3-phenyl-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid Traditional Name: 2,2-dimethoxy-3-phenyl-3-[4-(N-phenylanilino)pyrimidin-5-yl]propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1)C2=CN=CN=C2N(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)OC

Isomeric SMILES

COC(C(C1=CC=CC=C1)C2=CN=CN=C2N(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)OC

InChI

InChI=1S/C27H25N3O4/c1-33-27(34-2,26(31)32)24(20-12-6-3-7-13-20)23-18-28-19-29-25(23)30(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,24H,1-2H3,(H,31,32)