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

Systemtic Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethyl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethyl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[2-(1-pyrrolidinyl)ethyl]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethyl)pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-(2-pyrrolidinoethyl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)CCN4CCCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)CCN4CCCC4)C(=O)O

InChI

InChI=1S/C20H22N4O3/c1-23-15(20(25)26)13-14-5-4-6-16(19(14)23)27-18-7-9-21-17(22-18)8-12-24-10-2-3-11-24/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,25,26)