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

Systemtic Name: diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-chlorobenzyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H23BrClNO6 MolecularWeight: 548.81022

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrClNO6/c1-3-31-24(29)18-12-28(11-15-5-7-16(27)8-6-15)13-19(25(30)32-4-2)23(18)17-9-21-22(10-20(17)26)34-14-33-21/h5-10,12-13,23H,3-4,11,14H2,1-2H3