propyl 5-[[3,5-bis(bromanyl)-2-iodanyl-phenyl]carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[3,5-bis(bromanyl)-2-iodanyl-phenyl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(3,5-dibromo-2-iodo-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(3,5-dibromo-2-iodophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(3,5-dibromo-2-iodobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3,5-dibromo-2-iodo-benzoyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C21H21Br2IN2O4 MolecularWeight: 652.11491

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2I)Br)Br)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2I)Br)Br)N3CCOCC3

InChI

InChI=1S/C21H21Br2IN2O4/c1-2-7-30-21(28)15-12-14(3-4-18(15)26-5-8-29-9-6-26)25-20(27)16-10-13(22)11-17(23)19(16)24/h3-4,10-12H,2,5-9H2,1H3,(H,25,27)