methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-4-morpholino-benzoate CAS Name: 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(5-bromonicotinoyl)amino]-4-morpholino-benzoic acid methyl ester Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H18BrN3O4/c1-25-18(24)12-2-3-16(22-4-6-26-7-5-22)15(9-12)21-17(23)13-8-14(19)11-20-10-13/h2-3,8-11H,4-7H2,1H3,(H,21,23)