dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(4-bromophenyl)-1-piperonyl-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=CC=C(C=C2)Br)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)Br)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

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