methyl 2-[2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[2-[(5-bromo-2-furoyl)amino]acetyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C18H18BrN3O6 MolecularWeight: 452.25602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C18H18BrN3O6/c1-22(16(24)9-20-17(25)13-7-8-14(19)28-13)10-15(23)21-12-6-4-3-5-11(12)18(26)27-2/h3-8H,9-10H2,1-2H3,(H,20,25)(H,21,23)