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

Systemtic Name: diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-p-anisyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H26BrNO7 MolecularWeight: 544.39114

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO7/c1-4-32-25(29)19-13-28(12-16-6-8-17(31-3)9-7-16)14-20(26(30)33-5-2)24(19)18-10-22-23(11-21(18)27)35-15-34-22/h6-11,13-14,24H,4-5,12,15H2,1-3H3