dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-benzyl-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-benzyl-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H20BrNO6 MolecularWeight: 486.312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO6/c1-28-22(26)16-11-25(10-14-6-4-3-5-7-14)12-17(23(27)29-2)21(16)15-8-19-20(9-18(15)24)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3