propyl 5-[(5-bromanylpyridin-3-yl)carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[(5-bromanylpyridin-3-yl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(5-bromopyridine-3-carbonyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(5-bromopyridine-3-carbonyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(5-bromonicotinoyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CN=C2)Br)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CN=C2)Br)N3CCOCC3

InChI

InChI=1S/C20H22BrN3O4/c1-2-7-28-20(26)17-11-16(3-4-18(17)24-5-8-27-9-6-24)23-19(25)14-10-15(21)13-22-12-14/h3-4,10-13H,2,5-9H2,1H3,(H,23,25)