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

Systemtic Name: 1-[(6-bromanylpyridin-3-yl)methyl]-2-butyl-6-oxidanylidene-pyridine-4-carboxylic acid Openeye Name: 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-oxo-pyridine-4-carboxylic acid CAS Name: 1-[(6-bromo-3-pyridinyl)methyl]-2-butyl-6-oxo-4-pyridinecarboxylic acid IUPAC Name: 1-[(6-bromopyridin-3-yl)methyl]-2-butyl-6-oxopyridine-4-carboxylic acid Traditional Name: 1-[(6-bromo-3-pyridyl)methyl]-2-butyl-6-keto-isonicotinic acid Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3/c1-2-3-4-13-7-12(16(21)22)8-15(20)19(13)10-11-5-6-14(17)18-9-11/h5-9H,2-4,10H2,1H3,(H,21,22)