ethyl 2-[(5-bromanyl-2-butyl-1,6-dimethyl-4-oxidanylidene-pyridin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 2-[(5-bromanyl-2-butyl-1,6-dimethyl-4-oxidanylidene-pyridin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 2-[(5-bromo-2-butyl-1,6-dimethyl-4-oxo-pyridine-3-carbonyl)amino]benzoate CAS Name: 2-[[(5-bromo-2-butyl-1,6-dimethyl-4-oxo-3-pyridinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-butyl-1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]benzoate Traditional Name: 2-[(5-bromo-2-butyl-4-keto-1,6-dimethyl-nicotinoyl)amino]benzoic acid ethyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=C(N1C)C)Br)C(=O)NC2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(=O)C(=C(N1C)C)Br)C(=O)NC2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C21H25BrN2O4/c1-5-7-12-16-17(19(25)18(22)13(3)24(16)4)20(26)23-15-11-9-8-10-14(15)21(27)28-6-2/h8-11H,5-7,12H2,1-4H3,(H,23,26)