7-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[(4-methoxyphenyl)methylamino]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-(p-anisylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H20N4O4/c1-26-17(21(27)28)12-15-4-3-5-18(20(15)26)30-19-10-11-23-22(25-19)24-13-14-6-8-16(29-2)9-7-14/h3-12H,13H2,1-2H3,(H,27,28)(H,23,24,25)