methyl 1-[(6-bromanylpyridin-3-yl)methyl]-2-butyl-6-oxidanylidene-pyridine-4-carboxylate

Systemtic Name: methyl 1-[(6-bromanylpyridin-3-yl)methyl]-2-butyl-6-oxidanylidene-pyridine-4-carboxylate Openeye Name: methyl 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-oxo-pyridine-4-carboxylate CAS Name: 1-[(6-bromo-3-pyridinyl)methyl]-2-butyl-6-oxo-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-bromopyridin-3-yl)methyl]-2-butyl-6-oxopyridine-4-carboxylate Traditional Name: 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-keto-isonicotinic acid methyl ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2=CN=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2=CN=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C17H19BrN2O3/c1-3-4-5-14-8-13(17(22)23-2)9-16(21)20(14)11-12-6-7-15(18)19-10-12/h6-10H,3-5,11H2,1-2H3