methyl 5-[[4-[2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(2-bromo-4-hydroxy-5-methoxy-phenyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H25BrN2O6 MolecularWeight: 481.337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br)O

InChI

InChI=1S/C21H25BrN2O6/c1-28-19-10-14(16(22)12-17(19)25)11-20(26)24-7-3-6-23(8-9-24)13-15-4-5-18(30-15)21(27)29-2/h4-5,10,12,25H,3,6-9,11,13H2,1-2H3