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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromanyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromoindolin-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-bromo-2,3-dihydroindol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(5-bromoindolin-1-yl)-4-piperonyloxy-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20BrN3O5 MolecularWeight: 498.326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1OCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1OCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

InChI

InChI=1S/C23H20BrN3O5/c1-2-29-22(28)17-11-25-23(27-8-7-15-10-16(24)4-5-18(15)27)26-21(17)30-12-14-3-6-19-20(9-14)32-13-31-19/h3-6,9-11H,2,7-8,12-13H2,1H3