methyl 6-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]hexanoate Openeye Name: methyl 6-[(5-bromo-2-iodo-benzoyl)amino]hexanoate CAS Name: 6-[[(5-bromo-2-iodophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-iodobenzoyl)amino]hexanoate Traditional Name: 6-[(5-bromo-2-iodo-benzoyl)amino]hexanoic acid methyl ester Formula: C14H17BrINO3 MolecularWeight: 454.09815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)Br)I

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)Br)I

InChI

InChI=1S/C14H17BrINO3/c1-20-13(18)5-3-2-4-8-17-14(19)11-9-10(15)6-7-12(11)16/h6-7,9H,2-5,8H2,1H3,(H,17,19)