diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-veratryl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H28BrNO8 MolecularWeight: 574.41712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO8/c1-5-34-26(30)18-13-29(12-16-7-8-21(32-3)22(9-16)33-4)14-19(27(31)35-6-2)25(18)17-10-23-24(11-20(17)28)37-15-36-23/h7-11,13-14,25H,5-6,12,15H2,1-4H3