(1,3-benzodioxol-5-ylmethylamino) 2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: (1,3-benzodioxol-5-ylmethylamino) 2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Openeye Name: (1,3-benzodioxol-5-ylmethylamino) 2-indolin-1-ylpyrimidine-5-carboxylate CAS Name: 2-(2,3-dihydroindol-1-yl)-5-pyrimidinecarboxylic acid (1,3-benzodioxol-5-ylmethylamino) ester IUPAC Name: (1,3-benzodioxol-5-ylmethylamino) 2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-indolin-1-ylpyrimidine-5-carboxylic acid (piperonylamino) ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=NC=C(C=N3)C(=O)ONCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=NC=C(C=N3)C(=O)ONCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N4O4/c26-20(29-24-10-14-5-6-18-19(9-14)28-13-27-18)16-11-22-21(23-12-16)25-8-7-15-3-1-2-4-17(15)25/h1-6,9,11-12,24H,7-8,10,13H2