4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxopyridine-3-carboxylic acid Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-keto-nicotinic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H18BrNO4/c1-3-4-8-19-9-7-12(15(16(19)20)17(21)22)13-10-11(18)5-6-14(13)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)