dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H24BrNO8 MolecularWeight: 546.36396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC4=C(C=C3)OCO4)C(=O)OC)Br)OC

InChI

InChI=1S/C25H24BrNO8/c1-30-21-9-15(8-18(26)23(21)31-2)22-16(24(28)32-3)11-27(12-17(22)25(29)33-4)10-14-5-6-19-20(7-14)35-13-34-19/h5-9,11-12,22H,10,13H2,1-4H3