diethyl 4-(5-bromanyl-2-butoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(5-bromanyl-2-butoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(5-bromo-2-butoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(5-bromo-2-butoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(5-bromo-2-butoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(5-bromo-2-butoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C2=C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC

InChI

InChI=1S/C23H28BrNO5/c1-6-9-12-30-18-11-10-16(24)13-17(18)21-19(22(26)28-7-2)14(4)25-15(5)20(21)23(27)29-8-3/h10-11,13H,6-9,12H2,1-5H3