ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-indolin-1-yl-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-indolin-1-yl-4-(piperonylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O4/c1-2-29-22(28)17-13-25-23(27-10-9-16-5-3-4-6-18(16)27)26-21(17)24-12-15-7-8-19-20(11-15)31-14-30-19/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,24,25,26)