4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]benzoic acid

Systemtic Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]benzoic acid Openeye Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]benzoic acid CAS Name: 4-[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]methylamino]benzoic acid IUPAC Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]benzoic acid Traditional Name: 4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzyl]amino]benzoic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2CNC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2CNC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C20H19N3O5/c1-26-17-11-18(27-2)23-20(22-17)28-16-6-4-3-5-14(16)12-21-15-9-7-13(8-10-15)19(24)25/h3-11,21H,12H2,1-2H3,(H,24,25)