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

Systemtic Name: dimethyl 4-(5-bromanyl-2-butoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5/c1-6-7-10-28-16-9-8-14(22)11-15(16)19-17(20(24)26-4)12(2)23-13(3)18(19)21(25)27-5/h8-9,11H,6-7,10H2,1-5H3