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

Systemtic Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[2-(1-pyrrolidinyl)ethoxy]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-(2-pyrrolidinoethoxy)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)OCCN4CCCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)OCCN4CCCC4)C(=O)O

InChI

InChI=1S/C20H22N4O4/c1-23-15(19(25)26)13-14-5-4-6-16(18(14)23)28-17-7-8-21-20(22-17)27-12-11-24-9-2-3-10-24/h4-8,13H,2-3,9-12H2,1H3,(H,25,26)