[2-[(2-bromanylpyridin-4-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propyl] 2-bromanylpyridine-4-carboxylate

Systemtic Name: [2-[(2-bromanylpyridin-4-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propyl] 2-bromanylpyridine-4-carboxylate Openeye Name: [2-[(2-bromopyridine-4-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl] 2-bromopyridine-4-carboxylate CAS Name: 2-bromo-4-pyridinecarboxylic acid [2-[[(2-bromo-4-pyridinyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propyl] ester IUPAC Name: [2-[(2-bromopyridine-4-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl] 2-bromopyridine-4-carboxylate Traditional Name: 2-bromoisonicotinic acid [2-[(2-bromoisonicotinoyl)amino]-3-(3,4-dimethoxyphenyl)propyl] ester Formula: C23H21Br2N3O5 MolecularWeight: 579.23794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(COC(=O)C2=CC(=NC=C2)Br)NC(=O)C3=CC(=NC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(COC(=O)C2=CC(=NC=C2)Br)NC(=O)C3=CC(=NC=C3)Br)OC

InChI

InChI=1S/C23H21Br2N3O5/c1-31-18-4-3-14(10-19(18)32-2)9-17(28-22(29)15-5-7-26-20(24)11-15)13-33-23(30)16-6-8-27-21(25)12-16/h3-8,10-12,17H,9,13H2,1-2H3,(H,28,29)