2-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoroindolin-1-yl)-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(5-fluoroindolin-1-yl)-2-piperonyloxy-1H-pyrimidine-5-carboxylic acid Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)F)C3(NC=C(C=N3)C(=O)O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)F)C3(NC=C(C=N3)C(=O)O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18FN3O5/c22-16-2-3-17-14(8-16)5-6-25(17)21(23-9-15(10-24-21)20(26)27)30-11-13-1-4-18-19(7-13)29-12-28-18/h1-4,7-10,23H,5-6,11-12H2,(H,26,27)