4-[(6-ethoxy-5-methoxy-pyridin-2-yl)-(pyrimidin-5-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(6-ethoxy-5-methoxy-pyridin-2-yl)-(pyrimidin-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[(6-ethoxy-5-methoxy-2-pyridyl)-(pyrimidin-5-ylmethyl)amino]benzoic acid CAS Name: 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(5-pyrimidinylmethyl)amino]benzoic acid IUPAC Name: 4-[(6-ethoxy-5-methoxypyridin-2-yl)-(pyrimidin-5-ylmethyl)amino]benzoic acid Traditional Name: 4-[(6-ethoxy-5-methoxy-2-pyridyl)-(5-pyrimidylmethyl)amino]benzoic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=N1)N(CC2=CN=CN=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=N1)N(CC2=CN=CN=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C20H20N4O4/c1-3-28-19-17(27-2)8-9-18(23-19)24(12-14-10-21-13-22-11-14)16-6-4-15(5-7-16)20(25)26/h4-11,13H,3,12H2,1-2H3,(H,25,26)