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

Systemtic Name: 3-[4-(diphenylamino)pyrimidin-5-yl]-2,2-dimethoxy-propanoic acid Openeye Name: 2,2-dimethoxy-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid CAS Name: 2,2-dimethoxy-3-[4-(N-phenylanilino)-5-pyrimidinyl]propanoic acid IUPAC Name: 2,2-dimethoxy-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid Traditional Name: 2,2-dimethoxy-3-[4-(N-phenylanilino)pyrimidin-5-yl]propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CN=CN=C1N(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)OC

Isomeric SMILES

COC(CC1=CN=CN=C1N(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)OC

InChI

InChI=1S/C21H21N3O4/c1-27-21(28-2,20(25)26)13-16-14-22-15-23-19(16)24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14-15H,13H2,1-2H3,(H,25,26)